smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000078508306 1125547130 /nfs/dbraw/zinc/54/71/30/1125547130.db2.gz BREHQNHVMJRCJD-NSHDSACASA-N 1 2 363.795 4.121 20 30 FIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000078508306 1125547131 /nfs/dbraw/zinc/54/71/31/1125547131.db2.gz BREHQNHVMJRCJD-NSHDSACASA-N 1 2 363.795 4.121 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000619656689 1125649264 /nfs/dbraw/zinc/64/92/64/1125649264.db2.gz ZNEQIKROTNNKKP-SFHVURJKSA-N 1 2 365.864 4.136 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000619656689 1125649268 /nfs/dbraw/zinc/64/92/68/1125649268.db2.gz ZNEQIKROTNNKKP-SFHVURJKSA-N 1 2 365.864 4.136 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)s1 ZINC000126826905 1079542229 /nfs/dbraw/zinc/54/22/29/1079542229.db2.gz MBPCLJOCBTURML-UHFFFAOYSA-N 1 2 364.392 4.132 20 30 FIEDLO COc1ccc(F)c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1Cl ZINC001143373393 1079769780 /nfs/dbraw/zinc/76/97/80/1079769780.db2.gz WMEGIQCYDNDZEC-UHFFFAOYSA-N 1 2 374.843 4.403 20 30 FIEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(Br)c1 ZINC000134660575 1080329254 /nfs/dbraw/zinc/32/92/54/1080329254.db2.gz UENLHGJRVVCPSF-UHFFFAOYSA-N 1 2 367.250 4.178 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180519633 1080506322 /nfs/dbraw/zinc/50/63/22/1080506322.db2.gz VEWDQFAVGZGSRK-OAQYLSRUSA-N 1 2 351.425 4.003 20 30 FIEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3c(Cl)cccc31)CCC2 ZINC000578864068 1081250072 /nfs/dbraw/zinc/25/00/72/1081250072.db2.gz XCSFOHQSSNMXSM-ZDUSSCGKSA-N 1 2 351.841 4.254 20 30 FIEDLO N#Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C(F)(F)F ZINC000610388545 1081712617 /nfs/dbraw/zinc/71/26/17/1081712617.db2.gz QMLLXKQCWRDIRP-UHFFFAOYSA-N 1 2 370.334 4.074 20 30 FIEDLO CCCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000610484993 1082359475 /nfs/dbraw/zinc/35/94/75/1082359475.db2.gz AKNPGGWTMNGZJA-QGZVFWFLSA-N 1 2 374.506 4.097 20 30 FIEDLO CCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000610484993 1082359486 /nfs/dbraw/zinc/35/94/86/1082359486.db2.gz AKNPGGWTMNGZJA-QGZVFWFLSA-N 1 2 374.506 4.097 20 30 FIEDLO COc1ccc(OCc2ccccn2)c(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000093101123 1082511151 /nfs/dbraw/zinc/51/11/51/1082511151.db2.gz UUBPIXMHKBAQHV-UHFFFAOYSA-N 1 2 367.493 4.431 20 30 FIEDLO COc1ccc(OCc2ccccn2)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000093101123 1082511157 /nfs/dbraw/zinc/51/11/57/1082511157.db2.gz UUBPIXMHKBAQHV-UHFFFAOYSA-N 1 2 367.493 4.431 20 30 FIEDLO C=CCCCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000581832408 1082916955 /nfs/dbraw/zinc/91/69/55/1082916955.db2.gz HXKUDDRFKLQGDZ-UHFFFAOYSA-N 1 2 358.530 4.076 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000101599547 1083021387 /nfs/dbraw/zinc/02/13/87/1083021387.db2.gz MNXTVXLFJNSYBE-JOCHJYFZSA-N 1 2 352.441 4.324 20 30 FIEDLO C=CCc1cc(C[N@H+]2CCCC[C@H]2c2nccn2CC)cc(OC)c1O ZINC000430869057 1083216185 /nfs/dbraw/zinc/21/61/85/1083216185.db2.gz PDQKDIJSRUPTNG-SFHVURJKSA-N 1 2 355.482 4.073 20 30 FIEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H]2c2nccn2CC)cc(OC)c1O ZINC000430869057 1083216187 /nfs/dbraw/zinc/21/61/87/1083216187.db2.gz PDQKDIJSRUPTNG-SFHVURJKSA-N 1 2 355.482 4.073 20 30 FIEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430876692 1083216666 /nfs/dbraw/zinc/21/66/66/1083216666.db2.gz GNHCTOBSIXVLJR-HXUWFJFHSA-N 1 2 352.482 4.313 20 30 FIEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430876692 1083216669 /nfs/dbraw/zinc/21/66/69/1083216669.db2.gz GNHCTOBSIXVLJR-HXUWFJFHSA-N 1 2 352.482 4.313 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000612406124 1083779201 /nfs/dbraw/zinc/77/92/01/1083779201.db2.gz ITMFIZFIYCEGRN-JOCHJYFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000612406124 1083779211 /nfs/dbraw/zinc/77/92/11/1083779211.db2.gz ITMFIZFIYCEGRN-JOCHJYFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)c2)cc1 ZINC000612407126 1083781008 /nfs/dbraw/zinc/78/10/08/1083781008.db2.gz ZDSXJXMIPUJMKI-QFIPXVFZSA-N 1 2 363.461 4.073 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@](C)(C#N)C3)c2)cc1 ZINC000612407126 1083781015 /nfs/dbraw/zinc/78/10/15/1083781015.db2.gz ZDSXJXMIPUJMKI-QFIPXVFZSA-N 1 2 363.461 4.073 20 30 FIEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(Cl)c1OC ZINC000162259785 1083869275 /nfs/dbraw/zinc/86/92/75/1083869275.db2.gz CLMWYMFALFYKHC-UHFFFAOYSA-N 1 2 361.829 4.047 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccc1Cl ZINC000610956907 1083881358 /nfs/dbraw/zinc/88/13/58/1083881358.db2.gz YVTSAKXCXWISPI-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000477995776 1083905660 /nfs/dbraw/zinc/90/56/60/1083905660.db2.gz UZNZEMKMDJZBKP-FQEVSTJZSA-N 1 2 374.444 4.299 20 30 FIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3ccco3)c3ccccc3)C2=O)cc1 ZINC000179968482 1083940315 /nfs/dbraw/zinc/94/03/15/1083940315.db2.gz LQWLWMNKHQNXBM-UNMCSNQZSA-N 1 2 371.440 4.026 20 30 FIEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccnc(C#N)c1)[C@@H](c1ccccc1)C2 ZINC000610994563 1083948155 /nfs/dbraw/zinc/94/81/55/1083948155.db2.gz VBKSRZDIRHMASW-HSZRJFAPSA-N 1 2 355.441 4.261 20 30 FIEDLO COc1ccc2c(c1)C[N@H+](Cc1ccnc(C#N)c1)[C@@H](c1ccccc1)C2 ZINC000610994563 1083948157 /nfs/dbraw/zinc/94/81/57/1083948157.db2.gz VBKSRZDIRHMASW-HSZRJFAPSA-N 1 2 355.441 4.261 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(F)cc1Br ZINC000162264847 1084051321 /nfs/dbraw/zinc/05/13/21/1084051321.db2.gz PCKHQPHZQOUSOE-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO Cc1ccc([C@H](CNc2ccc(Cl)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000511415449 1084301980 /nfs/dbraw/zinc/30/19/80/1084301980.db2.gz RQEMCKBBORRQAT-FQEVSTJZSA-N 1 2 355.869 4.006 20 30 FIEDLO C=CC[N@@H+](Cc1cc(OC)c(OCC)c(OC)c1)Cc1ccccc1F ZINC000511477001 1084570138 /nfs/dbraw/zinc/57/01/38/1084570138.db2.gz JMADVWDYAIEGIH-UHFFFAOYSA-N 1 2 359.441 4.430 20 30 FIEDLO C=CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)Cc1ccccc1F ZINC000511477001 1084570145 /nfs/dbraw/zinc/57/01/45/1084570145.db2.gz JMADVWDYAIEGIH-UHFFFAOYSA-N 1 2 359.441 4.430 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405920 1084636320 /nfs/dbraw/zinc/63/63/20/1084636320.db2.gz FDPIUNQMMWHGEP-NSHDSACASA-N 1 2 373.806 4.203 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2Br)o1)[C@H](C)COC ZINC000661242154 1085476707 /nfs/dbraw/zinc/47/67/07/1085476707.db2.gz HOVMHUNSRINNJU-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2Br)o1)[C@H](C)COC ZINC000661242154 1085476714 /nfs/dbraw/zinc/47/67/14/1085476714.db2.gz HOVMHUNSRINNJU-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661418832 1085559271 /nfs/dbraw/zinc/55/92/71/1085559271.db2.gz LYZVIVJTEJSRDO-XLIONFOSSA-N 1 2 370.541 4.243 20 30 FIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661413272 1085559310 /nfs/dbraw/zinc/55/93/10/1085559310.db2.gz CGSMYMDGCUZIIV-RLLQIKCJSA-N 1 2 366.509 4.138 20 30 FIEDLO N#CCCC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000582961780 1085968442 /nfs/dbraw/zinc/96/84/42/1085968442.db2.gz GHOZZQSISAGEBN-UHFFFAOYSA-N 1 2 373.806 4.313 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872533 1086239437 /nfs/dbraw/zinc/23/94/37/1086239437.db2.gz FIIWWQXGNXSBDA-QUCCMNQESA-N 1 2 360.486 4.477 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872533 1086239448 /nfs/dbraw/zinc/23/94/48/1086239448.db2.gz FIIWWQXGNXSBDA-QUCCMNQESA-N 1 2 360.486 4.477 20 30 FIEDLO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1cccc(C#N)c1 ZINC000512069787 1086734203 /nfs/dbraw/zinc/73/42/03/1086734203.db2.gz XWZOGWUSZNIEOI-UHFFFAOYSA-N 1 2 365.506 4.283 20 30 FIEDLO C=CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1cccc(C#N)c1 ZINC000512069787 1086734205 /nfs/dbraw/zinc/73/42/05/1086734205.db2.gz XWZOGWUSZNIEOI-UHFFFAOYSA-N 1 2 365.506 4.283 20 30 FIEDLO Cn1ccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)n1 ZINC000583663567 1086907279 /nfs/dbraw/zinc/90/72/79/1086907279.db2.gz LTIVENGWWQOQPC-PZJWPPBQSA-N 1 2 362.864 4.312 20 30 FIEDLO N#CCCC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000584050926 1087139999 /nfs/dbraw/zinc/13/99/99/1087139999.db2.gz VQVXMDUHPLTJIZ-UHFFFAOYSA-N 1 2 359.470 4.377 20 30 FIEDLO O=C(CC1(O)CCCC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329764245 1087273801 /nfs/dbraw/zinc/27/38/01/1087273801.db2.gz VMUIZKJXIACDPX-MRXNPFEDSA-N 1 2 368.880 4.268 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)o1 ZINC000564316646 1088114305 /nfs/dbraw/zinc/11/43/05/1088114305.db2.gz USMRGUHCLSDFQD-UHFFFAOYSA-N 1 2 352.276 4.398 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)o1 ZINC000564316646 1088114320 /nfs/dbraw/zinc/11/43/20/1088114320.db2.gz USMRGUHCLSDFQD-UHFFFAOYSA-N 1 2 352.276 4.398 20 30 FIEDLO C[C@H](Nc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)c1cccc(C#N)c1 ZINC001167707352 1088340989 /nfs/dbraw/zinc/34/09/89/1088340989.db2.gz RDTXFFVGJZVUTH-INIZCTEOSA-N 1 2 366.428 4.374 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000472679123 1089074004 /nfs/dbraw/zinc/07/40/04/1089074004.db2.gz PJXRMNSBAGFWFL-UHFFFAOYSA-N 1 2 360.461 4.251 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000472679123 1089074022 /nfs/dbraw/zinc/07/40/22/1089074022.db2.gz PJXRMNSBAGFWFL-UHFFFAOYSA-N 1 2 360.461 4.251 20 30 FIEDLO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1F ZINC000435103857 1089291690 /nfs/dbraw/zinc/29/16/90/1089291690.db2.gz OJPGVBBZSUCYCS-UHFFFAOYSA-N 1 2 357.429 4.148 20 30 FIEDLO CCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1F ZINC000435103857 1089291704 /nfs/dbraw/zinc/29/17/04/1089291704.db2.gz OJPGVBBZSUCYCS-UHFFFAOYSA-N 1 2 357.429 4.148 20 30 FIEDLO N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000565299599 1089772429 /nfs/dbraw/zinc/77/24/29/1089772429.db2.gz IKAPWTSNOMFRQQ-HOTGVXAUSA-N 1 2 363.465 4.090 20 30 FIEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500125805 1091053637 /nfs/dbraw/zinc/05/36/37/1091053637.db2.gz RIDNGVWGKSCQCZ-AWEZNQCLSA-N 1 2 369.362 4.289 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000512422180 1092291420 /nfs/dbraw/zinc/29/14/20/1092291420.db2.gz XSNMXVHQABIWHH-KRWDZBQOSA-N 1 2 370.493 4.301 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000512422180 1092291430 /nfs/dbraw/zinc/29/14/30/1092291430.db2.gz XSNMXVHQABIWHH-KRWDZBQOSA-N 1 2 370.493 4.301 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000512531139 1092655792 /nfs/dbraw/zinc/65/57/92/1092655792.db2.gz DHGFBGMUYOJUOW-INIZCTEOSA-N 1 2 358.461 4.008 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000512531139 1092655796 /nfs/dbraw/zinc/65/57/96/1092655796.db2.gz DHGFBGMUYOJUOW-INIZCTEOSA-N 1 2 358.461 4.008 20 30 FIEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143537770 1092714686 /nfs/dbraw/zinc/71/46/86/1092714686.db2.gz BZBQDNLUUMNSGX-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001143537770 1092714692 /nfs/dbraw/zinc/71/46/92/1092714692.db2.gz BZBQDNLUUMNSGX-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000512557323 1092915627 /nfs/dbraw/zinc/91/56/27/1092915627.db2.gz PFHXTBRWUZTSRA-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000512557323 1092915629 /nfs/dbraw/zinc/91/56/29/1092915629.db2.gz PFHXTBRWUZTSRA-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccccc1 ZINC000512659330 1093094935 /nfs/dbraw/zinc/09/49/35/1093094935.db2.gz FTNLFSGOPIMBIW-VXKWHMMOSA-N 1 2 372.472 4.124 20 30 FIEDLO N#CCCC[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccccc1 ZINC000433031810 1093134439 /nfs/dbraw/zinc/13/44/39/1093134439.db2.gz JOOVTZWJPNLNCK-HXUWFJFHSA-N 1 2 360.461 4.380 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000247165471 1093143548 /nfs/dbraw/zinc/14/35/48/1093143548.db2.gz OLDQGKIVRDKYIG-HUUCEWRRSA-N 1 2 357.479 4.305 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000247165471 1093143559 /nfs/dbraw/zinc/14/35/59/1093143559.db2.gz OLDQGKIVRDKYIG-HUUCEWRRSA-N 1 2 357.479 4.305 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C[C@H](C)C#N)C3CC3)o2)cc1 ZINC000614235765 1093276365 /nfs/dbraw/zinc/27/63/65/1093276365.db2.gz TZIHVFJWDVZPAL-OAHLLOKOSA-N 1 2 352.434 4.247 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C[C@H](C)C#N)C3CC3)o2)cc1 ZINC000614235765 1093276371 /nfs/dbraw/zinc/27/63/71/1093276371.db2.gz TZIHVFJWDVZPAL-OAHLLOKOSA-N 1 2 352.434 4.247 20 30 FIEDLO CC[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H](C)C#N ZINC000474146461 1093454393 /nfs/dbraw/zinc/45/43/93/1093454393.db2.gz WMEMOLDDGGXIAK-JTQLQIEISA-N 1 2 365.193 4.329 20 30 FIEDLO CC[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H](C)C#N ZINC000474146461 1093454398 /nfs/dbraw/zinc/45/43/98/1093454398.db2.gz WMEMOLDDGGXIAK-JTQLQIEISA-N 1 2 365.193 4.329 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433248303 1093491882 /nfs/dbraw/zinc/49/18/82/1093491882.db2.gz RRYVOFMLPXRDHL-LLVKDONJSA-N 1 2 363.820 4.020 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433248303 1093491886 /nfs/dbraw/zinc/49/18/86/1093491886.db2.gz RRYVOFMLPXRDHL-LLVKDONJSA-N 1 2 363.820 4.020 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433256549 1093497944 /nfs/dbraw/zinc/49/79/44/1093497944.db2.gz QCJUHVJRKRZWOR-UHFFFAOYSA-N 1 2 365.861 4.100 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433256549 1093497952 /nfs/dbraw/zinc/49/79/52/1093497952.db2.gz QCJUHVJRKRZWOR-UHFFFAOYSA-N 1 2 365.861 4.100 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c(F)c1F ZINC000430019191 1094188924 /nfs/dbraw/zinc/18/89/24/1094188924.db2.gz DLRXYKKJBVOXCM-UHFFFAOYSA-N 1 2 367.264 4.474 20 30 FIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151705711 1094431748 /nfs/dbraw/zinc/43/17/48/1094431748.db2.gz HUAPWCOJKMQHNA-KRWDZBQOSA-N 1 2 372.428 4.057 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019278 1094713589 /nfs/dbraw/zinc/71/35/89/1094713589.db2.gz HIQDPNFWWYNTRD-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019278 1094713598 /nfs/dbraw/zinc/71/35/98/1094713598.db2.gz HIQDPNFWWYNTRD-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC12CCCCC2 ZINC000329099785 1094738806 /nfs/dbraw/zinc/73/88/06/1094738806.db2.gz DGMQNUXLQUKPHD-IBGZPJMESA-N 1 2 362.477 4.460 20 30 FIEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC12CCCCC2 ZINC000329099786 1094739199 /nfs/dbraw/zinc/73/91/99/1094739199.db2.gz DGMQNUXLQUKPHD-LJQANCHMSA-N 1 2 362.477 4.460 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4nsnc4c3)n2)C1 ZINC000329125588 1094748586 /nfs/dbraw/zinc/74/85/86/1094748586.db2.gz YDGFNGIPUVNOCO-NSHDSACASA-N 1 2 373.507 4.016 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4nsnc4c3)n2)C1 ZINC000329125588 1094748599 /nfs/dbraw/zinc/74/85/99/1094748599.db2.gz YDGFNGIPUVNOCO-NSHDSACASA-N 1 2 373.507 4.016 20 30 FIEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC001141904850 1094870256 /nfs/dbraw/zinc/87/02/56/1094870256.db2.gz GXMUUHLRJYVTRP-UHFFFAOYSA-N 1 2 356.267 4.095 20 30 FIEDLO CC[C@@H]1C[C@@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1 ZINC000329591659 1094988375 /nfs/dbraw/zinc/98/83/75/1094988375.db2.gz NXAPMBGBVGNLIM-CYGHRXIMSA-N 1 2 373.497 4.029 20 30 FIEDLO CC[C@@H]1C[C@@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1 ZINC000329591659 1094988382 /nfs/dbraw/zinc/98/83/82/1094988382.db2.gz NXAPMBGBVGNLIM-CYGHRXIMSA-N 1 2 373.497 4.029 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329637465 1095036591 /nfs/dbraw/zinc/03/65/91/1095036591.db2.gz AGUJLOSBWDFLBL-QRWLVFNGSA-N 1 2 352.482 4.217 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329637465 1095036605 /nfs/dbraw/zinc/03/66/05/1095036605.db2.gz AGUJLOSBWDFLBL-QRWLVFNGSA-N 1 2 352.482 4.217 20 30 FIEDLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000329720123 1095218045 /nfs/dbraw/zinc/21/80/45/1095218045.db2.gz BMWVVRQOKVOBSA-XJKCOSOUSA-N 1 2 374.485 4.467 20 30 FIEDLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000329720123 1095218060 /nfs/dbraw/zinc/21/80/60/1095218060.db2.gz BMWVVRQOKVOBSA-XJKCOSOUSA-N 1 2 374.485 4.467 20 30 FIEDLO C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329790974 1095266789 /nfs/dbraw/zinc/26/67/89/1095266789.db2.gz DDVQMESXNFSVSP-HZPDHXFCSA-N 1 2 352.482 4.410 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329830641 1095284447 /nfs/dbraw/zinc/28/44/47/1095284447.db2.gz JVXUZMJRZWYRFM-CSMYWGQOSA-N 1 2 361.873 4.078 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329830641 1095284453 /nfs/dbraw/zinc/28/44/53/1095284453.db2.gz JVXUZMJRZWYRFM-CSMYWGQOSA-N 1 2 361.873 4.078 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CCC3(CCCCC3)CC2)CCO1 ZINC000329833983 1095284752 /nfs/dbraw/zinc/28/47/52/1095284752.db2.gz GSBDHHDRNCXBBU-MJGOQNOKSA-N 1 2 374.529 4.037 20 30 FIEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3CCC[C@@H](C)C3)c2)CC1 ZINC000329951069 1095326164 /nfs/dbraw/zinc/32/61/64/1095326164.db2.gz ICJSCXAYDPBTOZ-IEBWSBKVSA-N 1 2 371.525 4.155 20 30 FIEDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000330094916 1095376758 /nfs/dbraw/zinc/37/67/58/1095376758.db2.gz UNOHTIRKEFFOOP-UHFFFAOYSA-N 1 2 358.530 4.499 20 30 FIEDLO CN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1c2ccccc2-c2ccccc21 ZINC000330106149 1095381902 /nfs/dbraw/zinc/38/19/02/1095381902.db2.gz KLOYMVFSTYFOFH-UHFFFAOYSA-N 1 2 372.472 4.335 20 30 FIEDLO O=C(Nc1ccc(C2CCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330203891 1095417296 /nfs/dbraw/zinc/41/72/96/1095417296.db2.gz CHUFDYMYEBBTOU-UHFFFAOYSA-N 1 2 350.466 4.344 20 30 FIEDLO CC(C)c1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330279075 1095446333 /nfs/dbraw/zinc/44/63/33/1095446333.db2.gz QMEGYZZAGWHXJF-PMACEKPBSA-N 1 2 366.509 4.463 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000330321509 1095507761 /nfs/dbraw/zinc/50/77/61/1095507761.db2.gz GAFLCAADIYLUOL-HLIPFELVSA-N 1 2 353.466 4.107 20 30 FIEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502526362 1095542341 /nfs/dbraw/zinc/54/23/41/1095542341.db2.gz AKGNYZWFDVTWGJ-UHFFFAOYSA-N 1 2 355.441 4.320 20 30 FIEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502526362 1095542355 /nfs/dbraw/zinc/54/23/55/1095542355.db2.gz AKGNYZWFDVTWGJ-UHFFFAOYSA-N 1 2 355.441 4.320 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000027776054 1095656947 /nfs/dbraw/zinc/65/69/47/1095656947.db2.gz HFUHNMLPEZVRAK-UHFFFAOYSA-N 1 2 374.488 4.116 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000027776054 1095656951 /nfs/dbraw/zinc/65/69/51/1095656951.db2.gz HFUHNMLPEZVRAK-UHFFFAOYSA-N 1 2 374.488 4.116 20 30 FIEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166890 1095805803 /nfs/dbraw/zinc/80/58/03/1095805803.db2.gz KKPDCHYLWAAWFD-ORAYPTAESA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166890 1095805832 /nfs/dbraw/zinc/80/58/32/1095805832.db2.gz KKPDCHYLWAAWFD-ORAYPTAESA-N 1 2 371.843 4.372 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc(C#N)cc2Cl)c1 ZINC000513757004 1095902411 /nfs/dbraw/zinc/90/24/11/1095902411.db2.gz WMIWCIGXDVBPGI-UHFFFAOYSA-N 1 2 369.881 4.439 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc(C#N)cc2Cl)c1 ZINC000513757004 1095902415 /nfs/dbraw/zinc/90/24/15/1095902415.db2.gz WMIWCIGXDVBPGI-UHFFFAOYSA-N 1 2 369.881 4.439 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000137232762 1096496364 /nfs/dbraw/zinc/49/63/64/1096496364.db2.gz GDMGDBRIEYECNA-UHFFFAOYSA-N 1 2 374.481 4.183 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000137232762 1096496368 /nfs/dbraw/zinc/49/63/68/1096496368.db2.gz GDMGDBRIEYECNA-UHFFFAOYSA-N 1 2 374.481 4.183 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3F)CC2)c(C#N)c1C ZINC000532978086 1098648896 /nfs/dbraw/zinc/64/88/96/1098648896.db2.gz FPDVVMJTRSXWIE-CQSZACIVSA-N 1 2 369.440 4.114 20 30 FIEDLO Cc1cc(C)c(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c[nH+]1 ZINC000454743270 1098732830 /nfs/dbraw/zinc/73/28/30/1098732830.db2.gz DMYDUAKUVCVRGK-ZDUSSCGKSA-N 1 2 354.479 4.272 20 30 FIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000533256586 1098916754 /nfs/dbraw/zinc/91/67/54/1098916754.db2.gz UYHMUWUGCUHYOH-UHFFFAOYSA-N 1 2 359.429 4.312 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425539980 1098987658 /nfs/dbraw/zinc/98/76/58/1098987658.db2.gz NMMOTXPJSDWYPB-OAHLLOKOSA-N 1 2 362.433 4.200 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425539980 1098987664 /nfs/dbraw/zinc/98/76/64/1098987664.db2.gz NMMOTXPJSDWYPB-OAHLLOKOSA-N 1 2 362.433 4.200 20 30 FIEDLO CC(C)C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000459412770 1100136149 /nfs/dbraw/zinc/13/61/49/1100136149.db2.gz RUOWGHVLABKCJJ-HXUWFJFHSA-N 1 2 364.449 4.397 20 30 FIEDLO CC(C)C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000459412770 1100136154 /nfs/dbraw/zinc/13/61/54/1100136154.db2.gz RUOWGHVLABKCJJ-HXUWFJFHSA-N 1 2 364.449 4.397 20 30 FIEDLO CCc1sc(-c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)o2)cc1C ZINC000506133065 1100202350 /nfs/dbraw/zinc/20/23/50/1100202350.db2.gz YUCFWAGYHAZLMJ-UHFFFAOYSA-N 1 2 352.463 4.173 20 30 FIEDLO CCc1sc(-c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1C ZINC000506133065 1100202367 /nfs/dbraw/zinc/20/23/67/1100202367.db2.gz YUCFWAGYHAZLMJ-UHFFFAOYSA-N 1 2 352.463 4.173 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000438481490 1100684517 /nfs/dbraw/zinc/68/45/17/1100684517.db2.gz XSFFNCGRQCZQTR-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000438481490 1100684520 /nfs/dbraw/zinc/68/45/20/1100684520.db2.gz XSFFNCGRQCZQTR-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)cc1F ZINC000537123807 1101468668 /nfs/dbraw/zinc/46/86/68/1101468668.db2.gz JMOAUOAVLZTRLG-IBGZPJMESA-N 1 2 358.388 4.254 20 30 FIEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl ZINC000537177830 1101520972 /nfs/dbraw/zinc/52/09/72/1101520972.db2.gz YCJYHZVBPPWXEB-SNVBAGLBSA-N 1 2 366.223 4.293 20 30 FIEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4cc(Br)ccc4C3=O)n2c1 ZINC000760229947 1101888452 /nfs/dbraw/zinc/88/84/52/1101888452.db2.gz PTKCVGWQIBOBCZ-MDWZMJQESA-N 1 2 353.219 4.228 20 30 FIEDLO N#Cc1ccc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000103004861 1102077582 /nfs/dbraw/zinc/07/75/82/1102077582.db2.gz MYSDUHGVMKSJBS-UHFFFAOYSA-N 1 2 368.849 4.128 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)c1C ZINC000052074628 1102242114 /nfs/dbraw/zinc/24/21/14/1102242114.db2.gz URIGXGWIOKHDKL-GOSISDBHSA-N 1 2 367.468 4.382 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)c1C ZINC000052074628 1102242135 /nfs/dbraw/zinc/24/21/35/1102242135.db2.gz URIGXGWIOKHDKL-GOSISDBHSA-N 1 2 367.468 4.382 20 30 FIEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000128393111 1102750834 /nfs/dbraw/zinc/75/08/34/1102750834.db2.gz DNRUFHOSDDMBLH-KKSFZXQISA-N 1 2 363.436 4.011 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C[C@H](C)C#N)C3CC3)c2)cc1 ZINC000537660973 1102786178 /nfs/dbraw/zinc/78/61/78/1102786178.db2.gz MEDUHUWVMJSAOT-MRXNPFEDSA-N 1 2 363.461 4.072 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C[C@H](C)C#N)C3CC3)c2)cc1 ZINC000537660973 1102786187 /nfs/dbraw/zinc/78/61/87/1102786187.db2.gz MEDUHUWVMJSAOT-MRXNPFEDSA-N 1 2 363.461 4.072 20 30 FIEDLO COc1cc(F)c(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000760268832 1103077895 /nfs/dbraw/zinc/07/78/95/1103077895.db2.gz CEFSEVTZRBKNJJ-PLNGDYQASA-N 1 2 360.772 4.040 20 30 FIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)Nc2ncc3c(c2C#N)CCC3)c(C)c1 ZINC000519709041 1103813878 /nfs/dbraw/zinc/81/38/78/1103813878.db2.gz IUQYFKGLHMMOFW-NRFANRHFSA-N 1 2 357.461 4.109 20 30 FIEDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000328727619 1104556983 /nfs/dbraw/zinc/55/69/83/1104556983.db2.gz DJTZHGOTPVUVOA-OAHLLOKOSA-N 1 2 370.371 4.058 20 30 FIEDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000328727619 1104556994 /nfs/dbraw/zinc/55/69/94/1104556994.db2.gz DJTZHGOTPVUVOA-OAHLLOKOSA-N 1 2 370.371 4.058 20 30 FIEDLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CCC2 ZINC000328933631 1104594183 /nfs/dbraw/zinc/59/41/83/1104594183.db2.gz PTSKRJWMILZXMQ-UYAOXDASSA-N 1 2 366.509 4.324 20 30 FIEDLO C=CCC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189612986 1104824145 /nfs/dbraw/zinc/82/41/45/1104824145.db2.gz IETZAVPFTPAMIG-SIKLNZKXSA-N 1 2 363.505 4.037 20 30 FIEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507850904 1105244837 /nfs/dbraw/zinc/24/48/37/1105244837.db2.gz LPOKCELROMFLNE-UHFFFAOYSA-N 1 2 373.456 4.074 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000105020781 1106915562 /nfs/dbraw/zinc/91/55/62/1106915562.db2.gz AOSCALYFBLGMCM-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000105020781 1106915564 /nfs/dbraw/zinc/91/55/64/1106915564.db2.gz AOSCALYFBLGMCM-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000444611031 1108018293 /nfs/dbraw/zinc/01/82/93/1108018293.db2.gz QFGDPGGNNRLVOE-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000444611031 1108018306 /nfs/dbraw/zinc/01/83/06/1108018306.db2.gz QFGDPGGNNRLVOE-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000453779872 1108735247 /nfs/dbraw/zinc/73/52/47/1108735247.db2.gz NQKQTBZTPXQTOG-INIZCTEOSA-N 1 2 364.474 4.175 20 30 FIEDLO COc1cccc(C2([NH2+]Cc3ccc(Cl)cc3C#N)CCOCC2)c1F ZINC000447366908 1109524986 /nfs/dbraw/zinc/52/49/86/1109524986.db2.gz MGKQUVALQQQOGA-UHFFFAOYSA-N 1 2 374.843 4.155 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000527481815 1109764680 /nfs/dbraw/zinc/76/46/80/1109764680.db2.gz OKQCUTSOTICBCA-SFHVURJKSA-N 1 2 353.510 4.124 20 30 FIEDLO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527703441 1109808020 /nfs/dbraw/zinc/80/80/20/1109808020.db2.gz ZIZMGKLSTDOGLL-IBGZPJMESA-N 1 2 353.853 4.009 20 30 FIEDLO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527703441 1109808024 /nfs/dbraw/zinc/80/80/24/1109808024.db2.gz ZIZMGKLSTDOGLL-IBGZPJMESA-N 1 2 353.853 4.009 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1C(F)(F)F ZINC000528508419 1110018698 /nfs/dbraw/zinc/01/86/98/1110018698.db2.gz WEKDJXIYZJRQDP-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1C(F)(F)F ZINC000528508419 1110018707 /nfs/dbraw/zinc/01/87/07/1110018707.db2.gz WEKDJXIYZJRQDP-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=CCC1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000449995257 1110219410 /nfs/dbraw/zinc/21/94/10/1110219410.db2.gz KXZWPNXMJFCFSH-UHFFFAOYSA-N 1 2 355.526 4.283 20 30 FIEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccccc2I)CCC1 ZINC000450409081 1110292960 /nfs/dbraw/zinc/29/29/60/1110292960.db2.gz WZVRUTONEVMRDS-OAHLLOKOSA-N 1 2 366.246 4.122 20 30 FIEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2I)CCC1 ZINC000450409081 1110292963 /nfs/dbraw/zinc/29/29/63/1110292963.db2.gz WZVRUTONEVMRDS-OAHLLOKOSA-N 1 2 366.246 4.122 20 30 FIEDLO C[C@@H](CC#N)N(C)Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485994 1110304715 /nfs/dbraw/zinc/30/47/15/1110304715.db2.gz QZHRDTLRMSVUBD-GJZGRUSLSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@@H](CC#N)N(C)Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485994 1110304716 /nfs/dbraw/zinc/30/47/16/1110304716.db2.gz QZHRDTLRMSVUBD-GJZGRUSLSA-N 1 2 366.431 4.173 20 30 FIEDLO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962998 1111442698 /nfs/dbraw/zinc/44/26/98/1111442698.db2.gz FKXBNPVEYREYAB-IRXDYDNUSA-N 1 2 362.811 4.051 20 30 FIEDLO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962998 1111442699 /nfs/dbraw/zinc/44/26/99/1111442699.db2.gz FKXBNPVEYREYAB-IRXDYDNUSA-N 1 2 362.811 4.051 20 30 FIEDLO C(#Cc1ccccc1)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000478525027 1111802617 /nfs/dbraw/zinc/80/26/17/1111802617.db2.gz YNDVTWXPKHXJFR-UHFFFAOYSA-N 1 2 374.513 4.007 20 30 FIEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccs1 ZINC000553986456 1112152645 /nfs/dbraw/zinc/15/26/45/1112152645.db2.gz AYVBQWQOJAUXTE-IBGZPJMESA-N 1 2 353.491 4.078 20 30 FIEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccs1 ZINC000553986456 1112152649 /nfs/dbraw/zinc/15/26/49/1112152649.db2.gz AYVBQWQOJAUXTE-IBGZPJMESA-N 1 2 353.491 4.078 20 30 FIEDLO CCCOc1cccc2c(N3CCC(C#N)(c4ccccn4)CC3)cc[nH+]c12 ZINC000554522660 1112389927 /nfs/dbraw/zinc/38/99/27/1112389927.db2.gz KKNOJADKSOKZNU-UHFFFAOYSA-N 1 2 372.472 4.480 20 30 FIEDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000480683851 1112551384 /nfs/dbraw/zinc/55/13/84/1112551384.db2.gz SDJKVJNMBNPRHJ-ZUOKHONESA-N 1 2 352.388 4.010 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249089541 1113223411 /nfs/dbraw/zinc/22/34/11/1113223411.db2.gz CSXQZZPWPJPWDP-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249089541 1113223414 /nfs/dbraw/zinc/22/34/14/1113223414.db2.gz CSXQZZPWPJPWDP-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483259713 1113475572 /nfs/dbraw/zinc/47/55/72/1113475572.db2.gz NFFLZTZTKBNCGT-MRXNPFEDSA-N 1 2 372.749 4.193 20 30 FIEDLO C=CCCOCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814388 1113580749 /nfs/dbraw/zinc/58/07/49/1113580749.db2.gz FGBAXQSOFXFIJH-SFHVURJKSA-N 1 2 373.541 4.194 20 30 FIEDLO C=CCCOCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814388 1113580752 /nfs/dbraw/zinc/58/07/52/1113580752.db2.gz FGBAXQSOFXFIJH-SFHVURJKSA-N 1 2 373.541 4.194 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000489403522 1114099430 /nfs/dbraw/zinc/09/94/30/1114099430.db2.gz NPOFRUXYJMDTNR-SNVBAGLBSA-N 1 2 354.273 4.101 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000489403522 1114099432 /nfs/dbraw/zinc/09/94/32/1114099432.db2.gz NPOFRUXYJMDTNR-SNVBAGLBSA-N 1 2 354.273 4.101 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000489490550 1114121932 /nfs/dbraw/zinc/12/19/32/1114121932.db2.gz BGHURPDVEIHQJX-RDJZCZTQSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000489490550 1114121935 /nfs/dbraw/zinc/12/19/35/1114121935.db2.gz BGHURPDVEIHQJX-RDJZCZTQSA-N 1 2 369.490 4.059 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000029530193 1114316395 /nfs/dbraw/zinc/31/63/95/1114316395.db2.gz KYAJXKLMWBHRPT-AWEZNQCLSA-N 1 2 370.840 4.003 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000029689995 1114353324 /nfs/dbraw/zinc/35/33/24/1114353324.db2.gz YVJPALADZBMDLK-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000029690025 1114353371 /nfs/dbraw/zinc/35/33/71/1114353371.db2.gz BPTMEITYJGZERO-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000588203150 1114554581 /nfs/dbraw/zinc/55/45/81/1114554581.db2.gz LUKYYGFRMZVRFU-UHFFFAOYSA-N 1 2 356.267 4.095 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000588212028 1114556096 /nfs/dbraw/zinc/55/60/96/1114556096.db2.gz ULZAHNSHTJWGNZ-OAHLLOKOSA-N 1 2 364.371 4.082 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000588212028 1114556097 /nfs/dbraw/zinc/55/60/97/1114556097.db2.gz ULZAHNSHTJWGNZ-OAHLLOKOSA-N 1 2 364.371 4.082 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000589740939 1114831247 /nfs/dbraw/zinc/83/12/47/1114831247.db2.gz LNKZKYLTSKDBSH-UHFFFAOYSA-N 1 2 371.506 4.053 20 30 FIEDLO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000592069988 1115202081 /nfs/dbraw/zinc/20/20/81/1115202081.db2.gz DGFKDCYMUIGFLH-MRXNPFEDSA-N 1 2 374.307 4.385 20 30 FIEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000592069988 1115202082 /nfs/dbraw/zinc/20/20/82/1115202082.db2.gz DGFKDCYMUIGFLH-MRXNPFEDSA-N 1 2 374.307 4.385 20 30 FIEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518203 1115417851 /nfs/dbraw/zinc/41/78/51/1115417851.db2.gz QFRGWAHGZQCMMC-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518203 1115417852 /nfs/dbraw/zinc/41/78/52/1115417852.db2.gz QFRGWAHGZQCMMC-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO CC(C)(C#N)c1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000594504296 1115452386 /nfs/dbraw/zinc/45/23/86/1115452386.db2.gz HXAABXXISMFSHV-UHFFFAOYSA-N 1 2 360.461 4.375 20 30 FIEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594929986 1115491747 /nfs/dbraw/zinc/49/17/47/1115491747.db2.gz QZIPPQIIYFLSCF-HNNXBMFYSA-N 1 2 374.444 4.151 20 30 FIEDLO N#CCCCC[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000595851921 1115564639 /nfs/dbraw/zinc/56/46/39/1115564639.db2.gz XBFCHSWKCHMXGV-UHFFFAOYSA-N 1 2 372.104 4.264 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610945 1115552978 /nfs/dbraw/zinc/55/29/78/1115552978.db2.gz DPIOAXQDGLAYFQ-NWDGAFQWSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610945 1115552980 /nfs/dbraw/zinc/55/29/80/1115552980.db2.gz DPIOAXQDGLAYFQ-NWDGAFQWSA-N 1 2 373.806 4.311 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3F)CC3CC3)o2)c1 ZINC000595766234 1115559058 /nfs/dbraw/zinc/55/90/58/1115559058.db2.gz CJAIQTPJDLLOFN-UHFFFAOYSA-N 1 2 362.408 4.160 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccccc3F)CC3CC3)o2)c1 ZINC000595766234 1115559061 /nfs/dbraw/zinc/55/90/61/1115559061.db2.gz CJAIQTPJDLLOFN-UHFFFAOYSA-N 1 2 362.408 4.160 20 30 FIEDLO N#CCCCC[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000595851921 1115564635 /nfs/dbraw/zinc/56/46/35/1115564635.db2.gz XBFCHSWKCHMXGV-UHFFFAOYSA-N 1 2 372.104 4.264 20 30 FIEDLO C=CCCSCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000596876396 1115625618 /nfs/dbraw/zinc/62/56/18/1115625618.db2.gz KUVTWZWZPQOHOD-UHFFFAOYSA-N 1 2 370.522 4.317 20 30 FIEDLO Cc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1C#N ZINC000599372199 1115810819 /nfs/dbraw/zinc/81/08/19/1115810819.db2.gz UHPGFJPHNARSIP-CQSZACIVSA-N 1 2 350.397 4.215 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553242 1115826198 /nfs/dbraw/zinc/82/61/98/1115826198.db2.gz WFHPKEAOLHPQKM-CQSZACIVSA-N 1 2 367.465 4.141 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599553242 1115826202 /nfs/dbraw/zinc/82/62/02/1115826202.db2.gz WFHPKEAOLHPQKM-CQSZACIVSA-N 1 2 367.465 4.141 20 30 FIEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000604493298 1115867868 /nfs/dbraw/zinc/86/78/68/1115867868.db2.gz GLAKLECNGKTAQW-UHFFFAOYSA-N 1 2 359.832 4.201 20 30 FIEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000604493298 1115867869 /nfs/dbraw/zinc/86/78/69/1115867869.db2.gz GLAKLECNGKTAQW-UHFFFAOYSA-N 1 2 359.832 4.201 20 30 FIEDLO C=C[C@@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000534678131 1116226248 /nfs/dbraw/zinc/22/62/48/1116226248.db2.gz LYLFNQIFBADZCR-MOPGFXCFSA-N 1 2 364.489 4.378 20 30 FIEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1C#N ZINC000535212201 1116283942 /nfs/dbraw/zinc/28/39/42/1116283942.db2.gz OPWWBXZCAHKITI-CQSZACIVSA-N 1 2 371.506 4.426 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1C#N ZINC000535212201 1116283944 /nfs/dbraw/zinc/28/39/44/1116283944.db2.gz OPWWBXZCAHKITI-CQSZACIVSA-N 1 2 371.506 4.426 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000462751857 1117751659 /nfs/dbraw/zinc/75/16/59/1117751659.db2.gz CZQOXDKRQOPXAA-OAHLLOKOSA-N 1 2 365.433 4.161 20 30 FIEDLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000541088064 1118378345 /nfs/dbraw/zinc/37/83/45/1118378345.db2.gz UQJZVRDHDCCNTM-AWEZNQCLSA-N 1 2 364.474 4.326 20 30 FIEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541318441 1118474803 /nfs/dbraw/zinc/47/48/03/1118474803.db2.gz LKEDPLYUCUKLCS-FZKQIMNGSA-N 1 2 363.288 4.363 20 30 FIEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723827 1118671754 /nfs/dbraw/zinc/67/17/54/1118671754.db2.gz CYZIKSSTMUHONJ-YJYMSZOUSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723827 1118671758 /nfs/dbraw/zinc/67/17/58/1118671758.db2.gz CYZIKSSTMUHONJ-YJYMSZOUSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000542015748 1118746609 /nfs/dbraw/zinc/74/66/09/1118746609.db2.gz ZXKAKRKGLQKEKS-KRWDZBQOSA-N 1 2 373.456 4.021 20 30 FIEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000542015748 1118746611 /nfs/dbraw/zinc/74/66/11/1118746611.db2.gz ZXKAKRKGLQKEKS-KRWDZBQOSA-N 1 2 373.456 4.021 20 30 FIEDLO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000271719601 1118757379 /nfs/dbraw/zinc/75/73/79/1118757379.db2.gz XNBOEZNFNJAANU-NEPJUHHUSA-N 1 2 351.479 4.174 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303453539 1118943008 /nfs/dbraw/zinc/94/30/08/1118943008.db2.gz LJUFFKCFAZGTBP-UHFFFAOYSA-N 1 2 370.472 4.289 20 30 FIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1cccs1 ZINC000178287621 1119382062 /nfs/dbraw/zinc/38/20/62/1119382062.db2.gz FBPBYYBPZIDEHO-UHFFFAOYSA-N 1 2 367.503 4.441 20 30 FIEDLO C=CCC[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000186796310 1119749419 /nfs/dbraw/zinc/74/94/19/1119749419.db2.gz WMZIIKSCLWSEBA-JOCHJYFZSA-N 1 2 359.473 4.298 20 30 FIEDLO CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761759144 1120349955 /nfs/dbraw/zinc/34/99/55/1120349955.db2.gz WTIJLMHFUBLFTQ-JOCHJYFZSA-N 1 2 350.462 4.167 20 30 FIEDLO CC(C)COc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761759144 1120349961 /nfs/dbraw/zinc/34/99/61/1120349961.db2.gz WTIJLMHFUBLFTQ-JOCHJYFZSA-N 1 2 350.462 4.167 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000302857863 1120712285 /nfs/dbraw/zinc/71/22/85/1120712285.db2.gz RGUICQMHSKUCCT-IBGZPJMESA-N 1 2 360.548 4.182 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000302857863 1120712291 /nfs/dbraw/zinc/71/22/91/1120712291.db2.gz RGUICQMHSKUCCT-IBGZPJMESA-N 1 2 360.548 4.182 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000237332216 1120976154 /nfs/dbraw/zinc/97/61/54/1120976154.db2.gz JQWFLWJXGGYOLM-CQSZACIVSA-N 1 2 353.397 4.291 20 30 FIEDLO COc1ccc(C(C)N=Nc2cccc([N+](=O)[O-])c2)cc1C[NH+]1CCCC1 ZINC000916268964 1121459472 /nfs/dbraw/zinc/45/94/72/1121459472.db2.gz IUHFWCVLBDTCRH-UHFFFAOYSA-N 1 2 368.437 4.035 20 30 FIEDLO C[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040793 1122012870 /nfs/dbraw/zinc/01/28/70/1122012870.db2.gz VGQUOZZLHGSOJH-WMLDXEAASA-N 1 2 361.470 4.092 20 30 FIEDLO C[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040793 1122012875 /nfs/dbraw/zinc/01/28/75/1122012875.db2.gz VGQUOZZLHGSOJH-WMLDXEAASA-N 1 2 361.470 4.092 20 30 FIEDLO COc1cc(OC)c2ncc(C#N)c(Oc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000553439743 1122097705 /nfs/dbraw/zinc/09/77/05/1122097705.db2.gz LDWPPLZSHCDPGA-UHFFFAOYSA-N 1 2 372.384 4.102 20 30 FIEDLO Cc1ccc([C@@H](C/N=C\c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000917557207 1122361541 /nfs/dbraw/zinc/36/15/41/1122361541.db2.gz ARBAIOBCIHEGPV-TXUMJUCDSA-N 1 2 374.484 4.346 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130559978 1122871288 /nfs/dbraw/zinc/87/12/88/1122871288.db2.gz USGCJLLEWQRWGK-QGZVFWFLSA-N 1 2 370.522 4.080 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130559978 1122871294 /nfs/dbraw/zinc/87/12/94/1122871294.db2.gz USGCJLLEWQRWGK-QGZVFWFLSA-N 1 2 370.522 4.080 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C2CC2)cc1 ZINC000194965432 1123057024 /nfs/dbraw/zinc/05/70/24/1123057024.db2.gz BGOQWRPZMVDGQV-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C2CC2)cc1 ZINC000194965432 1123057030 /nfs/dbraw/zinc/05/70/30/1123057030.db2.gz BGOQWRPZMVDGQV-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO C=C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000131653216 1123149059 /nfs/dbraw/zinc/14/90/59/1123149059.db2.gz VLILDHLONQLSID-HXUWFJFHSA-N 1 2 363.505 4.438 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000609705110 1123803202 /nfs/dbraw/zinc/80/32/02/1123803202.db2.gz QFSUAHIYTWGSGQ-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO CC(C)[C@H](C#N)N1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000609799439 1123838552 /nfs/dbraw/zinc/83/85/52/1123838552.db2.gz GLXJOAGYTIBBFS-INIZCTEOSA-N 1 2 372.365 4.251 20 30 FIEDLO CC[N@H+](Cc1nnc(Cc2ccccc2C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000123099537 1124220752 /nfs/dbraw/zinc/22/07/52/1124220752.db2.gz GARHJONNCFRXJK-QGZVFWFLSA-N 1 2 360.461 4.424 20 30 FIEDLO CC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000123099537 1124220757 /nfs/dbraw/zinc/22/07/57/1124220757.db2.gz GARHJONNCFRXJK-QGZVFWFLSA-N 1 2 360.461 4.424 20 30 FIEDLO C[NH+](C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1c(F)cccc1F ZINC000301391104 1124225786 /nfs/dbraw/zinc/22/57/86/1124225786.db2.gz GWKPTWPBLOIXIQ-SFHVURJKSA-N 1 2 352.388 4.099 20 30 FIEDLO N#Cc1cc(Cl)ccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302194757 1124294004 /nfs/dbraw/zinc/29/40/04/1124294004.db2.gz WZGCZGZJGPJFCU-UHFFFAOYSA-N 1 2 362.864 4.214 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000076912224 1125061954 /nfs/dbraw/zinc/06/19/54/1125061954.db2.gz YMUOMBKDIDCUFJ-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000076912224 1125061960 /nfs/dbraw/zinc/06/19/60/1125061960.db2.gz YMUOMBKDIDCUFJ-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000092975624 1125255922 /nfs/dbraw/zinc/25/59/22/1125255922.db2.gz NCRJGUJKSLYKCX-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000092975624 1125255926 /nfs/dbraw/zinc/25/59/26/1125255926.db2.gz NCRJGUJKSLYKCX-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000092975162 1125255958 /nfs/dbraw/zinc/25/59/58/1125255958.db2.gz RQLCRHBIXFPWJR-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000092975162 1125255961 /nfs/dbraw/zinc/25/59/61/1125255961.db2.gz RQLCRHBIXFPWJR-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO C=CCc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc(OC)c1O ZINC000093336014 1125304408 /nfs/dbraw/zinc/30/44/08/1125304408.db2.gz HLZKUTQEBUOLJU-UHFFFAOYSA-N 1 2 358.507 4.097 20 30 FIEDLO C=CCc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc(OC)c1O ZINC000093336014 1125304415 /nfs/dbraw/zinc/30/44/15/1125304415.db2.gz HLZKUTQEBUOLJU-UHFFFAOYSA-N 1 2 358.507 4.097 20 30 FIEDLO CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000601809855 567845497 /nfs/dbraw/zinc/84/54/97/567845497.db2.gz RLEHEZXFFBKDIB-YOEHRIQHSA-N 1 2 355.825 4.292 20 30 FIEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000602494858 567983229 /nfs/dbraw/zinc/98/32/29/567983229.db2.gz WKNFZNWWZVHPOD-QGZVFWFLSA-N 1 2 364.493 4.397 20 30 FIEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000604276376 568239951 /nfs/dbraw/zinc/23/99/51/568239951.db2.gz LHALCUMPVUKRDB-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000604276376 568239952 /nfs/dbraw/zinc/23/99/52/568239952.db2.gz LHALCUMPVUKRDB-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO N#Cc1ccc(F)c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604276933 568239968 /nfs/dbraw/zinc/23/99/68/568239968.db2.gz YTCGFEBTVPWPJT-RYUDHWBXSA-N 1 2 354.269 4.260 20 30 FIEDLO Cc1cc([C@H](C#N)C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)nc(C)n1 ZINC000604690944 568346106 /nfs/dbraw/zinc/34/61/06/568346106.db2.gz QIQVYNSUWSCTNY-SFHVURJKSA-N 1 2 358.401 4.079 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365273629 568396396 /nfs/dbraw/zinc/39/63/96/568396396.db2.gz ZZQCHIAIYGFORF-FQEVSTJZSA-N 1 2 366.827 4.362 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365273629 568396397 /nfs/dbraw/zinc/39/63/97/568396397.db2.gz ZZQCHIAIYGFORF-FQEVSTJZSA-N 1 2 366.827 4.362 20 30 FIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001165034181 721873910 /nfs/dbraw/zinc/87/39/10/721873910.db2.gz GQXCOEKSZVLMDC-UHFFFAOYSA-N 1 2 369.868 4.316 20 30 FIEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619847268 1125714562 /nfs/dbraw/zinc/71/45/62/1125714562.db2.gz LDLKVNJQWUNGNQ-OAQYLSRUSA-N 1 2 364.880 4.204 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430302863 1080555336 /nfs/dbraw/zinc/55/53/36/1080555336.db2.gz ICLJKFCQVIQGMZ-UHFFFAOYSA-N 1 2 362.864 4.247 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430302863 1080555337 /nfs/dbraw/zinc/55/53/37/1080555337.db2.gz ICLJKFCQVIQGMZ-UHFFFAOYSA-N 1 2 362.864 4.247 20 30 FIEDLO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167127978 1080644304 /nfs/dbraw/zinc/64/43/04/1080644304.db2.gz AIVFYYUIXQETKM-UHFFFAOYSA-N 1 2 373.794 4.076 20 30 FIEDLO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(n2cc[nH+]c2)CC1 ZINC001167128722 1080650538 /nfs/dbraw/zinc/65/05/38/1080650538.db2.gz IDNHVAJMQAKDAM-UHFFFAOYSA-N 1 2 372.259 4.451 20 30 FIEDLO FC(F)(F)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000683521450 1081047151 /nfs/dbraw/zinc/04/71/51/1081047151.db2.gz MOVWJZFIZNIAIG-AOOOYVTPSA-N 1 2 366.227 4.273 20 30 FIEDLO FC(F)(F)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000683521450 1081047161 /nfs/dbraw/zinc/04/71/61/1081047161.db2.gz MOVWJZFIZNIAIG-AOOOYVTPSA-N 1 2 366.227 4.273 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177694055 1081551758 /nfs/dbraw/zinc/55/17/58/1081551758.db2.gz JFBMZDZLOZTUAJ-HXUWFJFHSA-N 1 2 358.470 4.386 20 30 FIEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000182253972 1081603950 /nfs/dbraw/zinc/60/39/50/1081603950.db2.gz LBZDGWUANOUHAX-UHFFFAOYSA-N 1 2 372.472 4.464 20 30 FIEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000182253972 1081603975 /nfs/dbraw/zinc/60/39/75/1081603975.db2.gz LBZDGWUANOUHAX-UHFFFAOYSA-N 1 2 372.472 4.464 20 30 FIEDLO COc1ccc(-c2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cs2)cc1 ZINC000580967101 1082257003 /nfs/dbraw/zinc/25/70/03/1082257003.db2.gz AOABTFUKNGFKOF-UHFFFAOYSA-N 1 2 361.470 4.469 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000580984248 1082266825 /nfs/dbraw/zinc/26/68/25/1082266825.db2.gz JQDBGKRJZZSONS-UHFFFAOYSA-N 1 2 370.378 4.029 20 30 FIEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)no1 ZINC000328810824 1082832472 /nfs/dbraw/zinc/83/24/72/1082832472.db2.gz ATIRDFWUBNQIAT-DOTOQJQBSA-N 1 2 362.518 4.298 20 30 FIEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)no1 ZINC000328810824 1082832477 /nfs/dbraw/zinc/83/24/77/1082832477.db2.gz ATIRDFWUBNQIAT-DOTOQJQBSA-N 1 2 362.518 4.298 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nccn2CC)cc1OC ZINC000430882213 1083219410 /nfs/dbraw/zinc/21/94/10/1083219410.db2.gz IOPKCUYGUHUPMY-GOSISDBHSA-N 1 2 355.482 4.204 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccn2CC)cc1OC ZINC000430882213 1083219416 /nfs/dbraw/zinc/21/94/16/1083219416.db2.gz IOPKCUYGUHUPMY-GOSISDBHSA-N 1 2 355.482 4.204 20 30 FIEDLO Fc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000535795608 1083669023 /nfs/dbraw/zinc/66/90/23/1083669023.db2.gz FTLKZUQWYIZCMN-LBPRGKRZSA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000535795608 1083669028 /nfs/dbraw/zinc/66/90/28/1083669028.db2.gz FTLKZUQWYIZCMN-LBPRGKRZSA-N 1 2 359.285 4.388 20 30 FIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000612406442 1083773576 /nfs/dbraw/zinc/77/35/76/1083773576.db2.gz MHKLXFDSHFKPER-QFIPXVFZSA-N 1 2 357.461 4.060 20 30 FIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000612406442 1083773587 /nfs/dbraw/zinc/77/35/87/1083773587.db2.gz MHKLXFDSHFKPER-QFIPXVFZSA-N 1 2 357.461 4.060 20 30 FIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000612406441 1083773904 /nfs/dbraw/zinc/77/39/04/1083773904.db2.gz MHKLXFDSHFKPER-JOCHJYFZSA-N 1 2 357.461 4.060 20 30 FIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000612406441 1083773915 /nfs/dbraw/zinc/77/39/15/1083773915.db2.gz MHKLXFDSHFKPER-JOCHJYFZSA-N 1 2 357.461 4.060 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccco1 ZINC000151122980 1083963442 /nfs/dbraw/zinc/96/34/42/1083963442.db2.gz KSGLOWYYHRMPOO-OPAMFIHVSA-N 1 2 362.429 4.458 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)n2)ccc1F ZINC000120074575 1084887328 /nfs/dbraw/zinc/88/73/28/1084887328.db2.gz ZCTLZCBTJBWGFY-KGLIPLIRSA-N 1 2 350.397 4.468 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)n2)ccc1F ZINC000120074406 1084887638 /nfs/dbraw/zinc/88/76/38/1084887638.db2.gz ZCTLZCBTJBWGFY-ZIAGYGMSSA-N 1 2 350.397 4.468 20 30 FIEDLO C=C(C)[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187795694 1084967321 /nfs/dbraw/zinc/96/73/21/1084967321.db2.gz GVXNMNSWDYATQT-SFHVURJKSA-N 1 2 366.339 4.428 20 30 FIEDLO Cc1cccc([C@H]2CCC[N@H+]2CC#CCN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091012 /nfs/dbraw/zinc/09/10/12/1085091012.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 1 2 374.532 4.071 20 30 FIEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC#CCN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091015 /nfs/dbraw/zinc/09/10/15/1085091015.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 1 2 374.532 4.071 20 30 FIEDLO Cc1cccc([C@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091018 /nfs/dbraw/zinc/09/10/18/1085091018.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 1 2 374.532 4.071 20 30 FIEDLO Cc1cccc([C@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000560159494 1085091019 /nfs/dbraw/zinc/09/10/19/1085091019.db2.gz QEYYPCGAFZJDGM-PSWAGMNNSA-N 1 2 374.532 4.071 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000511874924 1085261924 /nfs/dbraw/zinc/26/19/24/1085261924.db2.gz GKFVGAQWMZMDRK-UHFFFAOYSA-N 1 2 350.491 4.363 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000511874924 1085261930 /nfs/dbraw/zinc/26/19/30/1085261930.db2.gz GKFVGAQWMZMDRK-UHFFFAOYSA-N 1 2 350.491 4.363 20 30 FIEDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(Br)cc2C#N)C2CC2)s1 ZINC000583280780 1086512361 /nfs/dbraw/zinc/51/23/61/1086512361.db2.gz OXYUGINKKLJPKR-HNNXBMFYSA-N 1 2 362.296 4.327 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562315 1086554054 /nfs/dbraw/zinc/55/40/54/1086554054.db2.gz LQRZUCCDKJUFBI-QGZVFWFLSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562315 1086554059 /nfs/dbraw/zinc/55/40/59/1086554059.db2.gz LQRZUCCDKJUFBI-QGZVFWFLSA-N 1 2 358.486 4.238 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512153657 1086845139 /nfs/dbraw/zinc/84/51/39/1086845139.db2.gz UVRIZVBXYZRYCP-KRWDZBQOSA-N 1 2 353.224 4.217 20 30 FIEDLO COc1cc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)ccc1C#N ZINC000584380644 1087311024 /nfs/dbraw/zinc/31/10/24/1087311024.db2.gz MOSHWMISIFGCKE-NRFANRHFSA-N 1 2 365.383 4.119 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000180479494 1087934921 /nfs/dbraw/zinc/93/49/21/1087934921.db2.gz OILUALTXXOLSPN-OAQYLSRUSA-N 1 2 361.376 4.485 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(F)c1F ZINC000181232007 1088269550 /nfs/dbraw/zinc/26/95/50/1088269550.db2.gz DLQSXJZAJKXLQI-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO N#Cc1cccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)c1 ZINC000435069754 1089258798 /nfs/dbraw/zinc/25/87/98/1089258798.db2.gz HQHQKNYCIKKMSD-UHFFFAOYSA-N 1 2 362.820 4.068 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000472754012 1089300794 /nfs/dbraw/zinc/30/07/94/1089300794.db2.gz QYCNYJLNVUTULL-UHFFFAOYSA-N 1 2 374.488 4.499 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000472754012 1089300817 /nfs/dbraw/zinc/30/08/17/1089300817.db2.gz QYCNYJLNVUTULL-UHFFFAOYSA-N 1 2 374.488 4.499 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000515079214 1089759471 /nfs/dbraw/zinc/75/94/71/1089759471.db2.gz NTQWTQMWYJDDJQ-QGZVFWFLSA-N 1 2 353.491 4.071 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000515079214 1089759482 /nfs/dbraw/zinc/75/94/82/1089759482.db2.gz NTQWTQMWYJDDJQ-QGZVFWFLSA-N 1 2 353.491 4.071 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103492953 1090195141 /nfs/dbraw/zinc/19/51/41/1090195141.db2.gz OGLORDCRWICEDE-UHFFFAOYSA-N 1 2 362.408 4.127 20 30 FIEDLO C=CCC(C)(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000432009709 1091545706 /nfs/dbraw/zinc/54/57/06/1091545706.db2.gz YBHNSCSHAQFESS-INIZCTEOSA-N 1 2 352.881 4.335 20 30 FIEDLO C=CC[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279565830 1091930255 /nfs/dbraw/zinc/93/02/55/1091930255.db2.gz QPJXFSYUHYPNLZ-NRFANRHFSA-N 1 2 363.505 4.285 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000512427696 1092310306 /nfs/dbraw/zinc/31/03/06/1092310306.db2.gz NCCYOBLELFJVAH-GOSISDBHSA-N 1 2 370.493 4.102 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000512427696 1092310316 /nfs/dbraw/zinc/31/03/16/1092310316.db2.gz NCCYOBLELFJVAH-GOSISDBHSA-N 1 2 370.493 4.102 20 30 FIEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1C#N ZINC000549689485 1092695511 /nfs/dbraw/zinc/69/55/11/1092695511.db2.gz ZUSDROAARQIXJG-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1C#N ZINC000549689485 1092695518 /nfs/dbraw/zinc/69/55/18/1092695518.db2.gz ZUSDROAARQIXJG-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000512543003 1092731034 /nfs/dbraw/zinc/73/10/34/1092731034.db2.gz YGHIRJQNWBVXCQ-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000512543003 1092731044 /nfs/dbraw/zinc/73/10/44/1092731044.db2.gz YGHIRJQNWBVXCQ-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512548195 1092906698 /nfs/dbraw/zinc/90/66/98/1092906698.db2.gz YTJXULUWXVPFNP-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512548195 1092906700 /nfs/dbraw/zinc/90/67/00/1092906700.db2.gz YTJXULUWXVPFNP-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ncccc1C(F)(F)F ZINC000512556370 1092914706 /nfs/dbraw/zinc/91/47/06/1092914706.db2.gz BXKPDXQCAVNQCH-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ncccc1C(F)(F)F ZINC000512556370 1092914708 /nfs/dbraw/zinc/91/47/08/1092914708.db2.gz BXKPDXQCAVNQCH-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000614159561 1093012687 /nfs/dbraw/zinc/01/26/87/1093012687.db2.gz HGAMUGDVPXJRON-UHFFFAOYSA-N 1 2 360.461 4.159 20 30 FIEDLO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000614159561 1093012699 /nfs/dbraw/zinc/01/26/99/1093012699.db2.gz HGAMUGDVPXJRON-UHFFFAOYSA-N 1 2 360.461 4.159 20 30 FIEDLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000614167576 1093038473 /nfs/dbraw/zinc/03/84/73/1093038473.db2.gz YSYNPZRXJYUESQ-NRFANRHFSA-N 1 2 373.928 4.215 20 30 FIEDLO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc(C#N)cc1F ZINC000512660196 1093097922 /nfs/dbraw/zinc/09/79/22/1093097922.db2.gz LUVSLXPTUBUBKC-KRWDZBQOSA-N 1 2 362.452 4.377 20 30 FIEDLO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000509825889 1093465890 /nfs/dbraw/zinc/46/58/90/1093465890.db2.gz FMBKCLPCFCODPJ-LJQANCHMSA-N 1 2 358.489 4.498 20 30 FIEDLO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)c1 ZINC000509825889 1093465895 /nfs/dbraw/zinc/46/58/95/1093465895.db2.gz FMBKCLPCFCODPJ-LJQANCHMSA-N 1 2 358.489 4.498 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000126234552 1093593699 /nfs/dbraw/zinc/59/36/99/1093593699.db2.gz GWJWVWJGTPKTMY-INIZCTEOSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000126234552 1093593706 /nfs/dbraw/zinc/59/37/06/1093593706.db2.gz GWJWVWJGTPKTMY-INIZCTEOSA-N 1 2 372.538 4.355 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015546958 1093728205 /nfs/dbraw/zinc/72/82/05/1093728205.db2.gz AMPHBXKUGSRDIQ-INIZCTEOSA-N 1 2 359.882 4.221 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015546958 1093728212 /nfs/dbraw/zinc/72/82/12/1093728212.db2.gz AMPHBXKUGSRDIQ-INIZCTEOSA-N 1 2 359.882 4.221 20 30 FIEDLO Cc1cccc([C@H](CNc2cccc(Cl)c2C#N)[NH+]2CCOCC2)c1 ZINC000513183055 1094001664 /nfs/dbraw/zinc/00/16/64/1094001664.db2.gz GPEOAQXASQLYAU-FQEVSTJZSA-N 1 2 355.869 4.006 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000121184466 1094491363 /nfs/dbraw/zinc/49/13/63/1094491363.db2.gz JQKPHNORHXNKKG-AWEZNQCLSA-N 1 2 356.495 4.078 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000121184466 1094491375 /nfs/dbraw/zinc/49/13/75/1094491375.db2.gz JQKPHNORHXNKKG-AWEZNQCLSA-N 1 2 356.495 4.078 20 30 FIEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000047797300 1094773449 /nfs/dbraw/zinc/77/34/49/1094773449.db2.gz WINTXSOGIBBVKL-UHFFFAOYSA-N 1 2 358.363 4.070 20 30 FIEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247430 1094796058 /nfs/dbraw/zinc/79/60/58/1094796058.db2.gz WBYGBEJCENKGPP-BBRMVZONSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247430 1094796065 /nfs/dbraw/zinc/79/60/65/1094796065.db2.gz WBYGBEJCENKGPP-BBRMVZONSA-N 1 2 356.495 4.088 20 30 FIEDLO CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329251915 1094799362 /nfs/dbraw/zinc/79/93/62/1094799362.db2.gz VDLLOUJOIDICKZ-OLZOCXBDSA-N 1 2 358.511 4.341 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CCC3(CCCCC3)CC2)CCO1 ZINC000329833981 1095284197 /nfs/dbraw/zinc/28/41/97/1095284197.db2.gz GSBDHHDRNCXBBU-HKUYNNGSSA-N 1 2 374.529 4.037 20 30 FIEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC2(CCCCC2)CC1 ZINC000329883495 1095303601 /nfs/dbraw/zinc/30/36/01/1095303601.db2.gz RDMAPBQNOKKEHY-UHFFFAOYSA-N 1 2 358.530 4.112 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329990663 1095340812 /nfs/dbraw/zinc/34/08/12/1095340812.db2.gz WIGZSJSFPPXRRT-MCYKXBRJSA-N 1 2 370.472 4.155 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329990663 1095340830 /nfs/dbraw/zinc/34/08/30/1095340830.db2.gz WIGZSJSFPPXRRT-MCYKXBRJSA-N 1 2 370.472 4.155 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000330007203 1095348575 /nfs/dbraw/zinc/34/85/75/1095348575.db2.gz FRIOCBWFYQJSSH-UHFFFAOYSA-N 1 2 360.483 4.014 20 30 FIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000330076129 1095370757 /nfs/dbraw/zinc/37/07/57/1095370757.db2.gz GTMUMSLMGLRCFH-MRXNPFEDSA-N 1 2 371.387 4.412 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330085029 1095373008 /nfs/dbraw/zinc/37/30/08/1095373008.db2.gz CNUJVULEVVJVMR-LZJOCLMNSA-N 1 2 360.498 4.056 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330085029 1095373020 /nfs/dbraw/zinc/37/30/20/1095373020.db2.gz CNUJVULEVVJVMR-LZJOCLMNSA-N 1 2 360.498 4.056 20 30 FIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330101056 1095382228 /nfs/dbraw/zinc/38/22/28/1095382228.db2.gz FEZHEPIGWBURBJ-DRSNIGMVSA-N 1 2 368.477 4.086 20 30 FIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330101056 1095382233 /nfs/dbraw/zinc/38/22/33/1095382233.db2.gz FEZHEPIGWBURBJ-DRSNIGMVSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000330303488 1095477115 /nfs/dbraw/zinc/47/71/15/1095477115.db2.gz PGWFEIFLLRWZAX-SFHVURJKSA-N 1 2 358.486 4.418 20 30 FIEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000330303488 1095477123 /nfs/dbraw/zinc/47/71/23/1095477123.db2.gz PGWFEIFLLRWZAX-SFHVURJKSA-N 1 2 358.486 4.418 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nccn3Cc3ccccc3)CC2)cc1 ZINC000502519192 1095533272 /nfs/dbraw/zinc/53/32/72/1095533272.db2.gz YTWNXKKUFXDMMP-UHFFFAOYSA-N 1 2 354.457 4.092 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nccn3Cc3ccccc3)CC2)cc1 ZINC000502519192 1095533287 /nfs/dbraw/zinc/53/32/87/1095533287.db2.gz YTWNXKKUFXDMMP-UHFFFAOYSA-N 1 2 354.457 4.092 20 30 FIEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529927 1095543343 /nfs/dbraw/zinc/54/33/43/1095543343.db2.gz PYODDFOLYNMPPV-INIZCTEOSA-N 1 2 363.436 4.122 20 30 FIEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529927 1095543356 /nfs/dbraw/zinc/54/33/56/1095543356.db2.gz PYODDFOLYNMPPV-INIZCTEOSA-N 1 2 363.436 4.122 20 30 FIEDLO N#CCCCn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000444032690 1095628526 /nfs/dbraw/zinc/62/85/26/1095628526.db2.gz PSQPVTXIVIAUDR-UHFFFAOYSA-N 1 2 369.428 4.383 20 30 FIEDLO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000504009706 1096626879 /nfs/dbraw/zinc/62/68/79/1096626879.db2.gz ZLLZQFOBMXUNEF-INIZCTEOSA-N 1 2 373.422 4.456 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000532926065 1098597010 /nfs/dbraw/zinc/59/70/10/1098597010.db2.gz OBMDHINCRZEEOU-GJZGRUSLSA-N 1 2 357.479 4.163 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000532926065 1098597016 /nfs/dbraw/zinc/59/70/16/1098597016.db2.gz OBMDHINCRZEEOU-GJZGRUSLSA-N 1 2 357.479 4.163 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1F ZINC000515737424 1098902705 /nfs/dbraw/zinc/90/27/05/1098902705.db2.gz HZYDPYQLUWNNPB-MNOVXSKESA-N 1 2 363.795 4.168 20 30 FIEDLO COc1cc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ccc1C ZINC000425532700 1098974663 /nfs/dbraw/zinc/97/46/63/1098974663.db2.gz JTMYXNUSOICYGD-OAHLLOKOSA-N 1 2 362.433 4.118 20 30 FIEDLO COc1cc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ccc1C ZINC000425532700 1098974669 /nfs/dbraw/zinc/97/46/69/1098974669.db2.gz JTMYXNUSOICYGD-OAHLLOKOSA-N 1 2 362.433 4.118 20 30 FIEDLO C[N@H+](CC(=O)N(c1ccccc1)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000026325928 1098982959 /nfs/dbraw/zinc/98/29/59/1098982959.db2.gz BYXWAZWYSJPVDY-UHFFFAOYSA-N 1 2 361.489 4.356 20 30 FIEDLO C[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000026325928 1098982960 /nfs/dbraw/zinc/98/29/60/1098982960.db2.gz BYXWAZWYSJPVDY-UHFFFAOYSA-N 1 2 361.489 4.356 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505835440 1099055082 /nfs/dbraw/zinc/05/50/82/1099055082.db2.gz XRVZRVDDPIIGMS-LENZSSGSSA-N 1 2 365.502 4.353 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505835440 1099055093 /nfs/dbraw/zinc/05/50/93/1099055093.db2.gz XRVZRVDDPIIGMS-LENZSSGSSA-N 1 2 365.502 4.353 20 30 FIEDLO CCC[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)Nc1ccccc1OC ZINC000533452068 1099060636 /nfs/dbraw/zinc/06/06/36/1099060636.db2.gz BEWKQPSGSCUHBG-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)Nc1ccccc1OC ZINC000533452068 1099060648 /nfs/dbraw/zinc/06/06/48/1099060648.db2.gz BEWKQPSGSCUHBG-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ncc(Br)s1)C(C)C ZINC000533786429 1099934212 /nfs/dbraw/zinc/93/42/12/1099934212.db2.gz RKPZVDJEZRTUPA-KGLIPLIRSA-N 1 2 372.376 4.255 20 30 FIEDLO CC[N@@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@@H](C)C#N ZINC000437581921 1100007783 /nfs/dbraw/zinc/00/77/83/1100007783.db2.gz QFZIVTWQKJGFRD-KRWDZBQOSA-N 1 2 366.461 4.034 20 30 FIEDLO CC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@@H](C)C#N ZINC000437581921 1100007793 /nfs/dbraw/zinc/00/77/93/1100007793.db2.gz QFZIVTWQKJGFRD-KRWDZBQOSA-N 1 2 366.461 4.034 20 30 FIEDLO CC(C)C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000459412769 1100135996 /nfs/dbraw/zinc/13/59/96/1100135996.db2.gz RUOWGHVLABKCJJ-FQEVSTJZSA-N 1 2 364.449 4.397 20 30 FIEDLO CC(C)C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000459412769 1100136000 /nfs/dbraw/zinc/13/60/00/1100136000.db2.gz RUOWGHVLABKCJJ-FQEVSTJZSA-N 1 2 364.449 4.397 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459500878 1100237559 /nfs/dbraw/zinc/23/75/59/1100237559.db2.gz DITREMUCJIXIAL-GOSISDBHSA-N 1 2 359.788 4.500 20 30 FIEDLO C=CC[N@H+](Cc1c(F)cccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529812 1100469563 /nfs/dbraw/zinc/46/95/63/1100469563.db2.gz WFXRHUWYGUCOEA-AWEZNQCLSA-N 1 2 371.847 4.204 20 30 FIEDLO C=CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529812 1100469576 /nfs/dbraw/zinc/46/95/76/1100469576.db2.gz WFXRHUWYGUCOEA-AWEZNQCLSA-N 1 2 371.847 4.204 20 30 FIEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)sc1C ZINC000437898606 1101265563 /nfs/dbraw/zinc/26/55/63/1101265563.db2.gz GJVIUBRSLSRZOZ-UHFFFAOYSA-N 1 2 351.422 4.258 20 30 FIEDLO N#Cc1cccc(F)c1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000506523414 1101271112 /nfs/dbraw/zinc/27/11/12/1101271112.db2.gz CWOWWZPSBINRQO-UHFFFAOYSA-N 1 2 374.419 4.078 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000426372303 1101402235 /nfs/dbraw/zinc/40/22/35/1101402235.db2.gz OEIRZNVGBHLUGP-UHFFFAOYSA-N 1 2 373.909 4.493 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000426372303 1101402239 /nfs/dbraw/zinc/40/22/39/1101402239.db2.gz OEIRZNVGBHLUGP-UHFFFAOYSA-N 1 2 373.909 4.493 20 30 FIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518825053 1101631712 /nfs/dbraw/zinc/63/17/12/1101631712.db2.gz MUCGZSCFRJXQND-RDJZCZTQSA-N 1 2 361.432 4.126 20 30 FIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518825053 1101631722 /nfs/dbraw/zinc/63/17/22/1101631722.db2.gz MUCGZSCFRJXQND-RDJZCZTQSA-N 1 2 361.432 4.126 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666455567 1102225950 /nfs/dbraw/zinc/22/59/50/1102225950.db2.gz XWFSNHSYTGJJGQ-HDICACEKSA-N 1 2 360.461 4.317 20 30 FIEDLO C=CC[C@H](CC)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001270621830 1102279646 /nfs/dbraw/zinc/27/96/46/1102279646.db2.gz CCVJIEZIJJIGBF-DLBZAZTESA-N 1 2 365.315 4.057 20 30 FIEDLO N#CCCC[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000487543471 1102308916 /nfs/dbraw/zinc/30/89/16/1102308916.db2.gz WYMNVPPKDLAKCP-JOCHJYFZSA-N 1 2 372.472 4.025 20 30 FIEDLO C=C(Br)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000729681589 1103034854 /nfs/dbraw/zinc/03/48/54/1103034854.db2.gz GRUWIPASXCXJBA-UHFFFAOYSA-N 1 2 368.706 4.200 20 30 FIEDLO CCCn1c(C)nn(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000760267994 1103068989 /nfs/dbraw/zinc/06/89/89/1103068989.db2.gz UDLFZIAYHKUSRU-UHFFFAOYSA-N 1 2 357.527 4.120 20 30 FIEDLO CCCn1c(C)nn(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000760267994 1103069007 /nfs/dbraw/zinc/06/90/07/1103069007.db2.gz UDLFZIAYHKUSRU-UHFFFAOYSA-N 1 2 357.527 4.120 20 30 FIEDLO Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c[nH+]cn4c3)n2)cc1 ZINC000551509970 1103297945 /nfs/dbraw/zinc/29/79/45/1103297945.db2.gz MHSWEVASRHKDSG-QGZVFWFLSA-N 1 2 358.426 4.256 20 30 FIEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188257164 1104106580 /nfs/dbraw/zinc/10/65/80/1104106580.db2.gz QCJMGTRVWPXJEZ-OAQYLSRUSA-N 1 2 353.466 4.054 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccc(OC)cc1 ZINC000441220312 1104201507 /nfs/dbraw/zinc/20/15/07/1104201507.db2.gz SWQDPARIBIVAQE-UHFFFAOYSA-N 1 2 358.507 4.309 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccc(OC)cc1 ZINC000441220312 1104201514 /nfs/dbraw/zinc/20/15/14/1104201514.db2.gz SWQDPARIBIVAQE-UHFFFAOYSA-N 1 2 358.507 4.309 20 30 FIEDLO CCc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000328652863 1104525225 /nfs/dbraw/zinc/52/52/25/1104525225.db2.gz KTBROKGKKHYIJA-INIZCTEOSA-N 1 2 370.472 4.346 20 30 FIEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CCC(F)(F)CC1 ZINC000328849518 1104578992 /nfs/dbraw/zinc/57/89/92/1104578992.db2.gz BGTFLFDLSXBLKO-UHFFFAOYSA-N 1 2 358.458 4.033 20 30 FIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000473977313 1104671307 /nfs/dbraw/zinc/67/13/07/1104671307.db2.gz VQSABZALKOUREI-NHCUHLMSSA-N 1 2 371.444 4.114 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000330786004 1104676050 /nfs/dbraw/zinc/67/60/50/1104676050.db2.gz UWSGJSSSXRGTGK-NSHDSACASA-N 1 2 373.806 4.311 20 30 FIEDLO C=CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665009202 1104678803 /nfs/dbraw/zinc/67/88/03/1104678803.db2.gz GQGXLPOGPXKBGR-AEFFLSMTSA-N 1 2 353.466 4.029 20 30 FIEDLO C=CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665009202 1104678805 /nfs/dbraw/zinc/67/88/05/1104678805.db2.gz GQGXLPOGPXKBGR-AEFFLSMTSA-N 1 2 353.466 4.029 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000441441765 1104721812 /nfs/dbraw/zinc/72/18/12/1104721812.db2.gz ALBNPWZEBSVKOV-NRFANRHFSA-N 1 2 373.422 4.244 20 30 FIEDLO C=CCC[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189612970 1104823583 /nfs/dbraw/zinc/82/35/83/1104823583.db2.gz IETZAVPFTPAMIG-KNQAVFIVSA-N 1 2 363.505 4.037 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183953849 1105083473 /nfs/dbraw/zinc/08/34/73/1105083473.db2.gz LMHVKLFBIWYFIG-UHFFFAOYSA-N 1 2 361.536 4.193 20 30 FIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000579639588 1105224230 /nfs/dbraw/zinc/22/42/30/1105224230.db2.gz TVBDANFUGKUMJX-GOSISDBHSA-N 1 2 362.351 4.030 20 30 FIEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000579639588 1105224232 /nfs/dbraw/zinc/22/42/32/1105224232.db2.gz TVBDANFUGKUMJX-GOSISDBHSA-N 1 2 362.351 4.030 20 30 FIEDLO CC1(C)CCCc2cc(C#N)c(NCc3ccc(Cn4cc[nH+]c4)cc3)nc21 ZINC000428115902 1105374924 /nfs/dbraw/zinc/37/49/24/1105374924.db2.gz OYRKICIVNMIBQR-UHFFFAOYSA-N 1 2 371.488 4.424 20 30 FIEDLO C=C(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000444680437 1108081142 /nfs/dbraw/zinc/08/11/42/1108081142.db2.gz OXTPOSYOUPBGGA-SFHVURJKSA-N 1 2 358.348 4.156 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444710946 1108112848 /nfs/dbraw/zinc/11/28/48/1108112848.db2.gz WGDIZSCZVFEAET-ZDUSSCGKSA-N 1 2 358.429 4.178 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444710946 1108112850 /nfs/dbraw/zinc/11/28/50/1108112850.db2.gz WGDIZSCZVFEAET-ZDUSSCGKSA-N 1 2 358.429 4.178 20 30 FIEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000444796976 1108192303 /nfs/dbraw/zinc/19/23/03/1108192303.db2.gz CKQQWVLGXUKQLZ-HXUWFJFHSA-N 1 2 367.880 4.055 20 30 FIEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000444796976 1108192311 /nfs/dbraw/zinc/19/23/11/1108192311.db2.gz CKQQWVLGXUKQLZ-HXUWFJFHSA-N 1 2 367.880 4.055 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475627030 1108623285 /nfs/dbraw/zinc/62/32/85/1108623285.db2.gz QQWHGOVUKRAESM-QGZVFWFLSA-N 1 2 352.261 4.381 20 30 FIEDLO C=CCCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000524072580 1108810727 /nfs/dbraw/zinc/81/07/27/1108810727.db2.gz JWPKAVWDGYKVAO-KRWDZBQOSA-N 1 2 367.896 4.224 20 30 FIEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000441233162 1109483083 /nfs/dbraw/zinc/48/30/83/1109483083.db2.gz OSEHUFHKWXQLJL-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000441233162 1109483085 /nfs/dbraw/zinc/48/30/85/1109483085.db2.gz OSEHUFHKWXQLJL-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO N#CCc1cc[nH+]c(NCc2cc(Br)ccc2OC(F)F)c1 ZINC000546634961 1109682492 /nfs/dbraw/zinc/68/24/92/1109682492.db2.gz XCZCVTYKSBYIIM-UHFFFAOYSA-N 1 2 368.181 4.124 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000448136639 1109729349 /nfs/dbraw/zinc/72/93/49/1109729349.db2.gz IDIMGSFCGMUGKO-LJQANCHMSA-N 1 2 372.559 4.053 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000527481736 1109764698 /nfs/dbraw/zinc/76/46/98/1109764698.db2.gz OAYAUGOERSSMJM-ZDUSSCGKSA-N 1 2 361.276 4.143 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000448453175 1109803128 /nfs/dbraw/zinc/80/31/28/1109803128.db2.gz WAMQQODQZFDLGO-UHFFFAOYSA-N 1 2 350.340 4.097 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000448453175 1109803133 /nfs/dbraw/zinc/80/31/33/1109803133.db2.gz WAMQQODQZFDLGO-UHFFFAOYSA-N 1 2 350.340 4.097 20 30 FIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C(C#N)(CC)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528962800 1110163405 /nfs/dbraw/zinc/16/34/05/1110163405.db2.gz JTPLNVAYMOXTLX-SJORKVTESA-N 1 2 365.880 4.061 20 30 FIEDLO CC[N@H+]1CC[C@@H](NC(=O)C(C#N)(CC)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528962800 1110163407 /nfs/dbraw/zinc/16/34/07/1110163407.db2.gz JTPLNVAYMOXTLX-SJORKVTESA-N 1 2 365.880 4.061 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000552976777 1111873453 /nfs/dbraw/zinc/87/34/53/1111873453.db2.gz KGACYTVSQUYLHQ-UHFFFAOYSA-N 1 2 355.438 4.062 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000552976777 1111873459 /nfs/dbraw/zinc/87/34/59/1111873459.db2.gz KGACYTVSQUYLHQ-UHFFFAOYSA-N 1 2 355.438 4.062 20 30 FIEDLO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCC1 ZINC000478754040 1111875800 /nfs/dbraw/zinc/87/58/00/1111875800.db2.gz NIJKNSFSEOFBGR-UHFFFAOYSA-N 1 2 367.518 4.386 20 30 FIEDLO C=CCC1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCC1 ZINC000478754040 1111875802 /nfs/dbraw/zinc/87/58/02/1111875802.db2.gz NIJKNSFSEOFBGR-UHFFFAOYSA-N 1 2 367.518 4.386 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311024 1112297231 /nfs/dbraw/zinc/29/72/31/1112297231.db2.gz QRKSRFMMGURYNF-APWZRJJASA-N 1 2 367.518 4.466 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311024 1112297233 /nfs/dbraw/zinc/29/72/33/1112297233.db2.gz QRKSRFMMGURYNF-APWZRJJASA-N 1 2 367.518 4.466 20 30 FIEDLO C=C(C)[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(F)c(F)c1 ZINC000480610295 1112500379 /nfs/dbraw/zinc/50/03/79/1112500379.db2.gz NHGGZSAIJIJIGB-GOSISDBHSA-N 1 2 356.376 4.360 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000555684727 1112967025 /nfs/dbraw/zinc/96/70/25/1112967025.db2.gz ISWUNLVIYIWSCN-UHFFFAOYSA-N 1 2 374.362 4.143 20 30 FIEDLO N#C[C@@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC2CCC1CC2 ZINC000907138825 1113517248 /nfs/dbraw/zinc/51/72/48/1113517248.db2.gz CWDSRFMRYXQTRX-KOBHVQJXSA-N 1 2 372.472 4.260 20 30 FIEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000486723590 1113630167 /nfs/dbraw/zinc/63/01/67/1113630167.db2.gz RRLJKKIZRPVWSD-LSDHHAIUSA-N 1 2 358.486 4.133 20 30 FIEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000490242573 1114250687 /nfs/dbraw/zinc/25/06/87/1114250687.db2.gz JRUBEWOGUPGQGC-YLJYHZDGSA-N 1 2 354.519 4.313 20 30 FIEDLO C=CCC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCOCC1 ZINC000571396305 1114461883 /nfs/dbraw/zinc/46/18/83/1114461883.db2.gz AAYKCWRHXZDKOL-UHFFFAOYSA-N 1 2 365.477 4.198 20 30 FIEDLO C#CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCc2ccccc21 ZINC000760817301 1115045172 /nfs/dbraw/zinc/04/51/72/1115045172.db2.gz DUQKIKHPKMUGPW-OAQYLSRUSA-N 1 2 373.412 4.373 20 30 FIEDLO C#CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCc2ccccc21 ZINC000760817301 1115045176 /nfs/dbraw/zinc/04/51/76/1115045176.db2.gz DUQKIKHPKMUGPW-OAQYLSRUSA-N 1 2 373.412 4.373 20 30 FIEDLO Cc1nn(-c2cccc(C)c2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000593220568 1115310872 /nfs/dbraw/zinc/31/08/72/1115310872.db2.gz QKHVCYQVXKSOMR-UHFFFAOYSA-N 1 2 361.449 4.179 20 30 FIEDLO N#Cc1ccc(N2CCC([NH2+]CC(F)(F)c3cccc(F)c3)CC2)cc1 ZINC000594968542 1115503565 /nfs/dbraw/zinc/50/35/65/1115503565.db2.gz RSGFRWPGMJJCCS-UHFFFAOYSA-N 1 2 359.395 4.048 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3F)CC3CC3)o2)cc1 ZINC000595766776 1115559360 /nfs/dbraw/zinc/55/93/60/1115559360.db2.gz JTEMAQIUYRSQBS-UHFFFAOYSA-N 1 2 362.408 4.160 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccc3F)CC3CC3)o2)cc1 ZINC000595766776 1115559364 /nfs/dbraw/zinc/55/93/64/1115559364.db2.gz JTEMAQIUYRSQBS-UHFFFAOYSA-N 1 2 362.408 4.160 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595781673 1115563347 /nfs/dbraw/zinc/56/33/47/1115563347.db2.gz FJUQQKAUHMIMDF-SFHVURJKSA-N 1 2 363.299 4.102 20 30 FIEDLO N#CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000596875441 1115625604 /nfs/dbraw/zinc/62/56/04/1115625604.db2.gz DKOBCWDWORPWIX-INIZCTEOSA-N 1 2 363.465 4.044 20 30 FIEDLO N#Cc1ccc(CN(Cc2c[nH+]c3n2CCC3)Cc2cccc(F)c2)cc1 ZINC000596993831 1115634098 /nfs/dbraw/zinc/63/40/98/1115634098.db2.gz LTLOXPAXRWBPLR-UHFFFAOYSA-N 1 2 360.436 4.042 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000597114600 1115641385 /nfs/dbraw/zinc/64/13/85/1115641385.db2.gz ZUEKCMURJXHWRL-INIZCTEOSA-N 1 2 358.445 4.066 20 30 FIEDLO CCO[C@@H](C)c1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602897182 1115732161 /nfs/dbraw/zinc/73/21/61/1115732161.db2.gz VBZITVCSIVDNCR-HNNXBMFYSA-N 1 2 370.522 4.189 20 30 FIEDLO CCC(C#N)(CC)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000599057107 1115785294 /nfs/dbraw/zinc/78/52/94/1115785294.db2.gz CVLICGTXXWYSMP-INIZCTEOSA-N 1 2 365.880 4.062 20 30 FIEDLO SC1CC[NH+](Cc2cc(Br)c(Br)s2)CC1 ZINC001232299144 1115810920 /nfs/dbraw/zinc/81/09/20/1115810920.db2.gz YICXGXDMWNYHDP-UHFFFAOYSA-N 1 2 371.163 4.167 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C2CC2)cc1 ZINC000604492230 1115867824 /nfs/dbraw/zinc/86/78/24/1115867824.db2.gz LCLKCAHRKFFQFJ-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C2CC2)cc1 ZINC000604492230 1115867825 /nfs/dbraw/zinc/86/78/25/1115867825.db2.gz LCLKCAHRKFFQFJ-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc1 ZINC000593977518 1115943045 /nfs/dbraw/zinc/94/30/45/1115943045.db2.gz BANGHVOBHOBZSS-UHFFFAOYSA-N 1 2 351.759 4.404 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4Cl)o3)CCC2)cc1 ZINC000594032444 1115967232 /nfs/dbraw/zinc/96/72/32/1115967232.db2.gz IJMFHHUWGGMRQP-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccc(Cl)cc4)o3)CCC2)cc1 ZINC000594032984 1115968634 /nfs/dbraw/zinc/96/86/34/1115968634.db2.gz UOESVOZNMWKEGZ-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO C=CCCCCCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000606946904 1115988583 /nfs/dbraw/zinc/98/85/83/1115988583.db2.gz PUIQNFXHDPRQRM-SFHVURJKSA-N 1 2 359.514 4.290 20 30 FIEDLO CCCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000608856547 1116134303 /nfs/dbraw/zinc/13/43/03/1116134303.db2.gz RCLUJNIPUVYELA-UHFFFAOYSA-N 1 2 369.896 4.130 20 30 FIEDLO CCCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000608856547 1116134304 /nfs/dbraw/zinc/13/43/04/1116134304.db2.gz RCLUJNIPUVYELA-UHFFFAOYSA-N 1 2 369.896 4.130 20 30 FIEDLO C=C(C)[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000491224798 1116185557 /nfs/dbraw/zinc/18/55/57/1116185557.db2.gz SOGPSBQLIRISJN-HXUWFJFHSA-N 1 2 354.404 4.012 20 30 FIEDLO N#Cc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000534519063 1116209046 /nfs/dbraw/zinc/20/90/46/1116209046.db2.gz BAXLHEWFANHGPR-UHFFFAOYSA-N 1 2 355.401 4.117 20 30 FIEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCc1ccccc1 ZINC000539825188 1116385354 /nfs/dbraw/zinc/38/53/54/1116385354.db2.gz NMEWBJWQMYLWKP-KRWDZBQOSA-N 1 2 350.462 4.398 20 30 FIEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCc1ccccc1 ZINC000539825188 1116385357 /nfs/dbraw/zinc/38/53/57/1116385357.db2.gz NMEWBJWQMYLWKP-KRWDZBQOSA-N 1 2 350.462 4.398 20 30 FIEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000462901432 1117848558 /nfs/dbraw/zinc/84/85/58/1117848558.db2.gz VRBKRPHYFPBGHL-HNNXBMFYSA-N 1 2 370.294 4.204 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000491399215 1118944795 /nfs/dbraw/zinc/94/47/95/1118944795.db2.gz VVEVCQZGJPDJAE-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000491399215 1118944797 /nfs/dbraw/zinc/94/47/97/1118944797.db2.gz VVEVCQZGJPDJAE-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178204558 1119376847 /nfs/dbraw/zinc/37/68/47/1119376847.db2.gz RYSDFUFSWVPCOU-CQSZACIVSA-N 1 2 365.462 4.050 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CCO2)c1 ZINC000761761907 1120357327 /nfs/dbraw/zinc/35/73/27/1120357327.db2.gz QOQKXEYTCCFKMY-GOSISDBHSA-N 1 2 360.429 4.446 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CCO2)c1 ZINC000761761907 1120357329 /nfs/dbraw/zinc/35/73/29/1120357329.db2.gz QOQKXEYTCCFKMY-GOSISDBHSA-N 1 2 360.429 4.446 20 30 FIEDLO Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761765391 1120361983 /nfs/dbraw/zinc/36/19/83/1120361983.db2.gz LOBVUYFUHUMTCH-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1cc(C)cc(OCCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761765391 1120361987 /nfs/dbraw/zinc/36/19/87/1120361987.db2.gz LOBVUYFUHUMTCH-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000915208811 1120874241 /nfs/dbraw/zinc/87/42/41/1120874241.db2.gz HRTLITRESJIOOI-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000915208811 1120874243 /nfs/dbraw/zinc/87/42/43/1120874243.db2.gz HRTLITRESJIOOI-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H](CC)C2)c1=S ZINC000915208812 1120874434 /nfs/dbraw/zinc/87/44/34/1120874434.db2.gz HRTLITRESJIOOI-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H](CC)C2)c1=S ZINC000915208812 1120874440 /nfs/dbraw/zinc/87/44/40/1120874440.db2.gz HRTLITRESJIOOI-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO Cc1cccn2c(/C=C/C(=O)c3cc(Br)ccc3F)c[nH+]c12 ZINC000763121807 1121144119 /nfs/dbraw/zinc/14/41/19/1121144119.db2.gz JTMXSJRKASVANL-FNORWQNLSA-N 1 2 359.198 4.440 20 30 FIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2N=Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000915981574 1121362075 /nfs/dbraw/zinc/36/20/75/1121362075.db2.gz UWLIYQPWTYZDIR-GASCZTMLSA-N 1 2 358.869 4.405 20 30 FIEDLO C[C@@H]1C[N@H+](Cc2ccccc2N=Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000915981574 1121362084 /nfs/dbraw/zinc/36/20/84/1121362084.db2.gz UWLIYQPWTYZDIR-GASCZTMLSA-N 1 2 358.869 4.405 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000108359719 1121532765 /nfs/dbraw/zinc/53/27/65/1121532765.db2.gz NVUJYPYSYFCBLT-CRAIPNDOSA-N 1 2 368.506 4.185 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000108359719 1121532771 /nfs/dbraw/zinc/53/27/71/1121532771.db2.gz NVUJYPYSYFCBLT-CRAIPNDOSA-N 1 2 368.506 4.185 20 30 FIEDLO CC[N@H+](CCC#N)Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000127655005 1122132309 /nfs/dbraw/zinc/13/23/09/1122132309.db2.gz BDWQUKSVIBUZNB-UHFFFAOYSA-N 1 2 354.450 4.018 20 30 FIEDLO CC[N@@H+](CCC#N)Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000127655005 1122132313 /nfs/dbraw/zinc/13/23/13/1122132313.db2.gz BDWQUKSVIBUZNB-UHFFFAOYSA-N 1 2 354.450 4.018 20 30 FIEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OCC(C)C)CC2)c1=S ZINC000917488539 1122333899 /nfs/dbraw/zinc/33/38/99/1122333899.db2.gz QLVGRYPGVVJWMJ-UHFFFAOYSA-N 1 2 359.539 4.453 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723882 1122376079 /nfs/dbraw/zinc/37/60/79/1122376079.db2.gz YUFWAOVNJWKDQK-IRXDYDNUSA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723882 1122376086 /nfs/dbraw/zinc/37/60/86/1122376086.db2.gz YUFWAOVNJWKDQK-IRXDYDNUSA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000070060171 1122709549 /nfs/dbraw/zinc/70/95/49/1122709549.db2.gz KFEQTVMLDPTTID-UHFFFAOYSA-N 1 2 366.509 4.209 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3csc(COc4ccccc4)n3)CC2)c1 ZINC000556411111 1122877120 /nfs/dbraw/zinc/87/71/20/1122877120.db2.gz XIYJLTZPBOJVQQ-UHFFFAOYSA-N 1 2 361.470 4.373 20 30 FIEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1cccc(F)c1 ZINC000920383110 1123450017 /nfs/dbraw/zinc/45/00/17/1123450017.db2.gz AOFINMAVBXNFDJ-UHFFFAOYSA-N 1 2 363.440 4.366 20 30 FIEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000920944370 1123540516 /nfs/dbraw/zinc/54/05/16/1123540516.db2.gz CUVKVUGLWOALJO-UZQMFHLOSA-N 1 2 373.840 4.210 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609555996 1123755389 /nfs/dbraw/zinc/75/53/89/1123755389.db2.gz QWURVTZMAQBKFF-CVEARBPZSA-N 1 2 369.494 4.146 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609555290 1123755652 /nfs/dbraw/zinc/75/56/52/1123755652.db2.gz CYTDBDXNIWCGOI-HZPDHXFCSA-N 1 2 369.494 4.004 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245536551 1124111990 /nfs/dbraw/zinc/11/19/90/1124111990.db2.gz LJZPHAVPLCDSEW-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245536551 1124111991 /nfs/dbraw/zinc/11/19/91/1124111991.db2.gz LJZPHAVPLCDSEW-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)ccc2Br)c1 ZINC000080518627 1124213808 /nfs/dbraw/zinc/21/38/08/1124213808.db2.gz BACXFPVRRXFAKL-UHFFFAOYSA-N 1 2 353.622 4.403 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000245715890 1124216640 /nfs/dbraw/zinc/21/66/40/1124216640.db2.gz CVTGULJJOFFMLN-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000245715890 1124216645 /nfs/dbraw/zinc/21/66/45/1124216645.db2.gz CVTGULJJOFFMLN-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1n1cc[nH+]c1 ZINC000301646183 1124249329 /nfs/dbraw/zinc/24/93/29/1124249329.db2.gz PMJLDEJRMIDMKN-SCLBCKFNSA-N 1 2 351.841 4.044 20 30 FIEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccoc1 ZINC000108363669 1124299657 /nfs/dbraw/zinc/29/96/57/1124299657.db2.gz VUAYFWIHVKCJOS-OAHLLOKOSA-N 1 2 357.479 4.134 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccoc1 ZINC000108363669 1124299661 /nfs/dbraw/zinc/29/96/61/1124299661.db2.gz VUAYFWIHVKCJOS-OAHLLOKOSA-N 1 2 357.479 4.134 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc(Cl)cc3)C3CC3)o2)cc1 ZINC000075641198 1124911165 /nfs/dbraw/zinc/91/11/65/1124911165.db2.gz KVWDMICTGZCXHG-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc(Cl)cc3)C3CC3)o2)cc1 ZINC000075641198 1124911168 /nfs/dbraw/zinc/91/11/68/1124911168.db2.gz KVWDMICTGZCXHG-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000076912226 1125061238 /nfs/dbraw/zinc/06/12/38/1125061238.db2.gz YMUOMBKDIDCUFJ-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000076912226 1125061251 /nfs/dbraw/zinc/06/12/51/1125061251.db2.gz YMUOMBKDIDCUFJ-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000063750953 205293398 /nfs/dbraw/zinc/29/33/98/205293398.db2.gz AIPZQXNZEVEUQS-UHFFFAOYSA-N 1 2 372.428 4.364 20 30 FIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000063750953 205293403 /nfs/dbraw/zinc/29/34/03/205293403.db2.gz AIPZQXNZEVEUQS-UHFFFAOYSA-N 1 2 372.428 4.364 20 30 FIEDLO N#CCC[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000602583066 567993958 /nfs/dbraw/zinc/99/39/58/567993958.db2.gz PEQTZDLCGOYIKK-HXUWFJFHSA-N 1 2 357.461 4.279 20 30 FIEDLO N#CCC[C@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000602583065 567993995 /nfs/dbraw/zinc/99/39/95/567993995.db2.gz PEQTZDLCGOYIKK-FQEVSTJZSA-N 1 2 357.461 4.279 20 30 FIEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603855304 568167730 /nfs/dbraw/zinc/16/77/30/568167730.db2.gz UOHPRRLIUFBZPL-HNNXBMFYSA-N 1 2 373.859 4.419 20 30 FIEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603855304 568167731 /nfs/dbraw/zinc/16/77/31/568167731.db2.gz UOHPRRLIUFBZPL-HNNXBMFYSA-N 1 2 373.859 4.419 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000568781188 568210608 /nfs/dbraw/zinc/21/06/08/568210608.db2.gz OUXHXOPGTYTTGR-UHFFFAOYSA-N 1 2 354.369 4.251 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000604487258 568298351 /nfs/dbraw/zinc/29/83/51/568298351.db2.gz VBDJDLQTGGJHFA-UHFFFAOYSA-N 1 2 365.521 4.116 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000604487258 568298352 /nfs/dbraw/zinc/29/83/52/568298352.db2.gz VBDJDLQTGGJHFA-UHFFFAOYSA-N 1 2 365.521 4.116 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c(F)c1 ZINC000569463701 568399034 /nfs/dbraw/zinc/39/90/34/568399034.db2.gz WSETVPHPIXOSSU-UHFFFAOYSA-N 1 2 369.371 4.021 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)c1ncc(Br)cn1 ZINC000569442485 568402401 /nfs/dbraw/zinc/40/24/01/568402401.db2.gz QSRNFEFRYZQALK-VHSXEESVSA-N 1 2 365.662 4.176 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000570915226 568667009 /nfs/dbraw/zinc/66/70/09/568667009.db2.gz OTTYBVANVJQBMS-UHFFFAOYSA-N 1 2 370.294 4.033 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000570915226 568667011 /nfs/dbraw/zinc/66/70/11/568667011.db2.gz OTTYBVANVJQBMS-UHFFFAOYSA-N 1 2 370.294 4.033 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](C)[C@H](C)CC#N)cc1OCC ZINC000132278487 1125550138 /nfs/dbraw/zinc/55/01/38/1125550138.db2.gz IOYAVMWWKOOBND-CYBMUJFWSA-N 1 2 369.303 4.371 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC ZINC000132278487 1125550144 /nfs/dbraw/zinc/55/01/44/1125550144.db2.gz IOYAVMWWKOOBND-CYBMUJFWSA-N 1 2 369.303 4.371 20 30 FIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619431985 1125593741 /nfs/dbraw/zinc/59/37/41/1125593741.db2.gz LKHJGPSYVFWZTG-NRFANRHFSA-N 1 2 364.880 4.204 20 30 FIEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)nc1 ZINC000430172226 1079706906 /nfs/dbraw/zinc/70/69/06/1079706906.db2.gz CWNZCWLYWGKWCE-CYBMUJFWSA-N 1 2 366.223 4.052 20 30 FIEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)nc1 ZINC000430172226 1079706910 /nfs/dbraw/zinc/70/69/10/1079706910.db2.gz CWNZCWLYWGKWCE-CYBMUJFWSA-N 1 2 366.223 4.052 20 30 FIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000471158920 1080001292 /nfs/dbraw/zinc/00/12/92/1080001292.db2.gz FQGGBDUISCDYBM-UHFFFAOYSA-N 1 2 370.456 4.076 20 30 FIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000471158920 1080001301 /nfs/dbraw/zinc/00/13/01/1080001301.db2.gz FQGGBDUISCDYBM-UHFFFAOYSA-N 1 2 370.456 4.076 20 30 FIEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccccc1F ZINC000109103462 1080042754 /nfs/dbraw/zinc/04/27/54/1080042754.db2.gz JXOUEDYRPDRSOV-UHFFFAOYSA-N 1 2 354.425 4.045 20 30 FIEDLO C=CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccccc1F ZINC000109103462 1080042761 /nfs/dbraw/zinc/04/27/61/1080042761.db2.gz JXOUEDYRPDRSOV-UHFFFAOYSA-N 1 2 354.425 4.045 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748081535 1080113800 /nfs/dbraw/zinc/11/38/00/1080113800.db2.gz AKVFEEYYFBRFPR-INIZCTEOSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748081535 1080113805 /nfs/dbraw/zinc/11/38/05/1080113805.db2.gz AKVFEEYYFBRFPR-INIZCTEOSA-N 1 2 372.538 4.355 20 30 FIEDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)[nH+]c1C ZINC000375604116 1080475995 /nfs/dbraw/zinc/47/59/95/1080475995.db2.gz DPJKDCCUBWASFL-UHFFFAOYSA-N 1 2 350.809 4.471 20 30 FIEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000610272915 1081000580 /nfs/dbraw/zinc/00/05/80/1081000580.db2.gz YFCMJZWSYQQXJJ-AWEZNQCLSA-N 1 2 366.465 4.190 20 30 FIEDLO CC1(C#N)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000291211509 1081451041 /nfs/dbraw/zinc/45/10/41/1081451041.db2.gz BHZTVLDJOCMOIU-UHFFFAOYSA-N 1 2 363.465 4.044 20 30 FIEDLO CCOc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000683831899 1081743249 /nfs/dbraw/zinc/74/32/49/1081743249.db2.gz HPHFAOBHUZPNSP-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413267 1081814040 /nfs/dbraw/zinc/81/40/40/1081814040.db2.gz KWOGXYDXAJQMDZ-KUHUBIRLSA-N 1 2 360.379 4.377 20 30 FIEDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413267 1081814049 /nfs/dbraw/zinc/81/40/49/1081814049.db2.gz KWOGXYDXAJQMDZ-KUHUBIRLSA-N 1 2 360.379 4.377 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000177916804 1082322400 /nfs/dbraw/zinc/32/24/00/1082322400.db2.gz RLPDHKIJJLPNKT-UHFFFAOYSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000177916804 1082322403 /nfs/dbraw/zinc/32/24/03/1082322403.db2.gz RLPDHKIJJLPNKT-UHFFFAOYSA-N 1 2 357.527 4.132 20 30 FIEDLO COc1nc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)ccc1C#N ZINC001167460358 1082555730 /nfs/dbraw/zinc/55/57/30/1082555730.db2.gz MLNBIQPQALMQCL-UHFFFAOYSA-N 1 2 361.430 4.152 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430903166 1083228356 /nfs/dbraw/zinc/22/83/56/1083228356.db2.gz GBHLKQXOKBMSIY-QGZVFWFLSA-N 1 2 374.916 4.493 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000510813116 1083324773 /nfs/dbraw/zinc/32/47/73/1083324773.db2.gz QJLRVSBKHYPBHV-HXUWFJFHSA-N 1 2 354.519 4.490 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000510813116 1083324775 /nfs/dbraw/zinc/32/47/75/1083324775.db2.gz QJLRVSBKHYPBHV-HXUWFJFHSA-N 1 2 354.519 4.490 20 30 FIEDLO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(F)(C#N)CC2)on1 ZINC000510923663 1083450863 /nfs/dbraw/zinc/45/08/63/1083450863.db2.gz ZXAMPUWDXPKFDO-UHFFFAOYSA-N 1 2 365.408 4.331 20 30 FIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001167495859 1083464605 /nfs/dbraw/zinc/46/46/05/1083464605.db2.gz IWWYZYJEVMUXJW-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c[nH+]1 ZINC000535748797 1083625486 /nfs/dbraw/zinc/62/54/86/1083625486.db2.gz CYDDVLSHUKTZFW-UHFFFAOYSA-N 1 2 361.376 4.176 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000535758380 1083629085 /nfs/dbraw/zinc/62/90/85/1083629085.db2.gz MSXOXLSJNACTRH-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000535758380 1083629089 /nfs/dbraw/zinc/62/90/89/1083629089.db2.gz MSXOXLSJNACTRH-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000364687083 1083702889 /nfs/dbraw/zinc/70/28/89/1083702889.db2.gz NXJDQRXITYOCBP-CABCVRRESA-N 1 2 362.433 4.166 20 30 FIEDLO N#Cc1cccnc1N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000247643304 1083746977 /nfs/dbraw/zinc/74/69/77/1083746977.db2.gz IQQARJBPDYDUEW-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000413826404 1083921790 /nfs/dbraw/zinc/92/17/90/1083921790.db2.gz QKHCHULCOLBPNL-LJQANCHMSA-N 1 2 367.493 4.036 20 30 FIEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C#N ZINC000610991388 1083932819 /nfs/dbraw/zinc/93/28/19/1083932819.db2.gz HPZPEWWIBDINTR-CHWSQXEVSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[NH+]1CCC(C#N)CC1 ZINC001143420611 1083943825 /nfs/dbraw/zinc/94/38/25/1083943825.db2.gz CEVCJHIFDUSNJZ-UHFFFAOYSA-N 1 2 366.305 4.468 20 30 FIEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000215732589 1083952318 /nfs/dbraw/zinc/95/23/18/1083952318.db2.gz DZABMJQMPVGAHC-UHFFFAOYSA-N 1 2 367.522 4.417 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3cc(C(C)(C)C)sc3C#N)[nH+]c12 ZINC000539173284 1084355529 /nfs/dbraw/zinc/35/55/29/1084355529.db2.gz PBHSWCITWUYLKW-UHFFFAOYSA-N 1 2 352.463 4.055 20 30 FIEDLO CC[C@@H](c1nnc(SC[C@@H](C#N)CCC#N)n1C1CCCCC1)[NH+](C)C ZINC000066399160 1084437097 /nfs/dbraw/zinc/43/70/97/1084437097.db2.gz SDOXZWDKRODCCV-WBVHZDCISA-N 1 2 374.558 4.332 20 30 FIEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000582097473 1084629727 /nfs/dbraw/zinc/62/97/27/1084629727.db2.gz IJEPCYQIBSWUHK-IBGZPJMESA-N 1 2 361.424 4.040 20 30 FIEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000582097473 1084629735 /nfs/dbraw/zinc/62/97/35/1084629735.db2.gz IJEPCYQIBSWUHK-IBGZPJMESA-N 1 2 361.424 4.040 20 30 FIEDLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000934290367 1084631497 /nfs/dbraw/zinc/63/14/97/1084631497.db2.gz LRPMUJBOZHQTAI-IBGZPJMESA-N 1 2 361.449 4.189 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c(F)c1 ZINC000552018590 1084771751 /nfs/dbraw/zinc/77/17/51/1084771751.db2.gz HXYRQYOZBZUMDH-UHFFFAOYSA-N 1 2 369.371 4.021 20 30 FIEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651622812 1085254595 /nfs/dbraw/zinc/25/45/95/1085254595.db2.gz JRRCHISNDZUUAE-QWRGUYRKSA-N 1 2 359.285 4.397 20 30 FIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H](C)COC ZINC000661243951 1085478096 /nfs/dbraw/zinc/47/80/96/1085478096.db2.gz OJVHFXBDXSRINQ-LLVKDONJSA-N 1 2 356.253 4.066 20 30 FIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H](C)COC ZINC000661243951 1085478102 /nfs/dbraw/zinc/47/81/02/1085478102.db2.gz OJVHFXBDXSRINQ-LLVKDONJSA-N 1 2 356.253 4.066 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872535 1086240472 /nfs/dbraw/zinc/24/04/72/1086240472.db2.gz FIIWWQXGNXSBDA-UYAOXDASSA-N 1 2 360.486 4.477 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872535 1086240483 /nfs/dbraw/zinc/24/04/83/1086240483.db2.gz FIIWWQXGNXSBDA-UYAOXDASSA-N 1 2 360.486 4.477 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512153658 1086844297 /nfs/dbraw/zinc/84/42/97/1086844297.db2.gz UVRIZVBXYZRYCP-QGZVFWFLSA-N 1 2 353.224 4.217 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCc4cccnc43)n2)C1 ZINC000329319343 1086905917 /nfs/dbraw/zinc/90/59/17/1086905917.db2.gz RCLLKOBBAIKZBR-CJNGLKHVSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCc4cccnc43)n2)C1 ZINC000329319343 1086905918 /nfs/dbraw/zinc/90/59/18/1086905918.db2.gz RCLLKOBBAIKZBR-CJNGLKHVSA-N 1 2 356.495 4.088 20 30 FIEDLO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1OC1CCCC1 ZINC000584295807 1087252192 /nfs/dbraw/zinc/25/21/92/1087252192.db2.gz QPAMGNYCBBOCFU-ZDUSSCGKSA-N 1 2 357.479 4.196 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000505052826 1088098504 /nfs/dbraw/zinc/09/85/04/1088098504.db2.gz YQFBJCDSHMFFGC-KRWDZBQOSA-N 1 2 352.482 4.025 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187275355 1088145736 /nfs/dbraw/zinc/14/57/36/1088145736.db2.gz DESBANWNSPMMFJ-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187275355 1088145746 /nfs/dbraw/zinc/14/57/46/1088145746.db2.gz DESBANWNSPMMFJ-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000176996816 1088162000 /nfs/dbraw/zinc/16/20/00/1088162000.db2.gz JZAOQXQFUJPXKW-QFIPXVFZSA-N 1 2 373.456 4.133 20 30 FIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000181230587 1088268413 /nfs/dbraw/zinc/26/84/13/1088268413.db2.gz ZOLRTEPLWQWSLM-LLVKDONJSA-N 1 2 363.230 4.319 20 30 FIEDLO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000514102229 1088747207 /nfs/dbraw/zinc/74/72/07/1088747207.db2.gz MKXZLEKCXQXLEL-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000514102229 1088747225 /nfs/dbraw/zinc/74/72/25/1088747225.db2.gz MKXZLEKCXQXLEL-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1F ZINC000434770813 1089034772 /nfs/dbraw/zinc/03/47/72/1089034772.db2.gz XKBCBHFVARFQDR-UHFFFAOYSA-N 1 2 371.481 4.290 20 30 FIEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1F ZINC000434770813 1089034787 /nfs/dbraw/zinc/03/47/87/1089034787.db2.gz XKBCBHFVARFQDR-UHFFFAOYSA-N 1 2 371.481 4.290 20 30 FIEDLO N#CCCC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000425312754 1089452954 /nfs/dbraw/zinc/45/29/54/1089452954.db2.gz KPBVGSUOQJBHPN-NHCUHLMSSA-N 1 2 372.472 4.483 20 30 FIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccccn1 ZINC000188098655 1090169028 /nfs/dbraw/zinc/16/90/28/1090169028.db2.gz ZHQZRNBCEHLFPG-UHFFFAOYSA-N 1 2 374.473 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)CC#N)cc1OCC ZINC000093090599 1092248950 /nfs/dbraw/zinc/24/89/50/1092248950.db2.gz POIGOECSYNUGGC-CYBMUJFWSA-N 1 2 367.287 4.147 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC ZINC000093090599 1092248964 /nfs/dbraw/zinc/24/89/64/1092248964.db2.gz POIGOECSYNUGGC-CYBMUJFWSA-N 1 2 367.287 4.147 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000093091453 1092249703 /nfs/dbraw/zinc/24/97/03/1092249703.db2.gz AKXQNKRQDYFKNV-UHFFFAOYSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000093091453 1092249712 /nfs/dbraw/zinc/24/97/12/1092249712.db2.gz AKXQNKRQDYFKNV-UHFFFAOYSA-N 1 2 356.901 4.327 20 30 FIEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000549739485 1092736668 /nfs/dbraw/zinc/73/66/68/1092736668.db2.gz BYMNDKUROBTSGX-IRXDYDNUSA-N 1 2 369.509 4.364 20 30 FIEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428727632 1092924229 /nfs/dbraw/zinc/92/42/29/1092924229.db2.gz IWVJJJMITGELPA-NRFANRHFSA-N 1 2 366.436 4.100 20 30 FIEDLO CC(C)(C#N)c1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000614160196 1093020065 /nfs/dbraw/zinc/02/00/65/1093020065.db2.gz XIAYGKIXPFWQKW-UHFFFAOYSA-N 1 2 365.496 4.335 20 30 FIEDLO CC(C)(C#N)c1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000614160196 1093020076 /nfs/dbraw/zinc/02/00/76/1093020076.db2.gz XIAYGKIXPFWQKW-UHFFFAOYSA-N 1 2 365.496 4.335 20 30 FIEDLO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000509825888 1093465415 /nfs/dbraw/zinc/46/54/15/1093465415.db2.gz FMBKCLPCFCODPJ-IBGZPJMESA-N 1 2 358.489 4.498 20 30 FIEDLO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000509825888 1093465423 /nfs/dbraw/zinc/46/54/23/1093465423.db2.gz FMBKCLPCFCODPJ-IBGZPJMESA-N 1 2 358.489 4.498 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001141814997 1093584328 /nfs/dbraw/zinc/58/43/28/1093584328.db2.gz XHDBXXACMFQDBZ-AWEZNQCLSA-N 1 2 359.242 4.449 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001141814997 1093584334 /nfs/dbraw/zinc/58/43/34/1093584334.db2.gz XHDBXXACMFQDBZ-AWEZNQCLSA-N 1 2 359.242 4.449 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001141816807 1093597058 /nfs/dbraw/zinc/59/70/58/1093597058.db2.gz MRLYSDCKODROCF-INIZCTEOSA-N 1 2 351.263 4.425 20 30 FIEDLO N#CC1CC[NH+](Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000474260147 1093628091 /nfs/dbraw/zinc/62/80/91/1093628091.db2.gz SBFUJROBRHYPBR-UHFFFAOYSA-N 1 2 363.177 4.083 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037883 1094719598 /nfs/dbraw/zinc/71/95/98/1094719598.db2.gz NKWMMFWRSWBTPZ-TZMCWYRMSA-N 1 2 362.861 4.114 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037883 1094719610 /nfs/dbraw/zinc/71/96/10/1094719610.db2.gz NKWMMFWRSWBTPZ-TZMCWYRMSA-N 1 2 362.861 4.114 20 30 FIEDLO Cc1cn2cc(NC(=O)N3CCCCC[C@@H]3c3c(C)n[nH]c3C)ccc2[nH+]1 ZINC000329477331 1094926497 /nfs/dbraw/zinc/92/64/97/1094926497.db2.gz ULIRKADPJZYHKX-QGZVFWFLSA-N 1 2 366.469 4.145 20 30 FIEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCCC(F)(F)C1 ZINC000330191115 1095412165 /nfs/dbraw/zinc/41/21/65/1095412165.db2.gz WTLVCYXJRCPPNR-LBPRGKRZSA-N 1 2 358.458 4.033 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330329721 1095511094 /nfs/dbraw/zinc/51/10/94/1095511094.db2.gz MUXWAOOZEZGAPZ-MNSOJDNVSA-N 1 2 373.419 4.356 20 30 FIEDLO CCc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330332702 1095530491 /nfs/dbraw/zinc/53/04/91/1095530491.db2.gz PDMTULBIRYYXGQ-UHFFFAOYSA-N 1 2 352.482 4.207 20 30 FIEDLO CCn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2cc(F)ccc21 ZINC000502530898 1095545474 /nfs/dbraw/zinc/54/54/74/1095545474.db2.gz SNGBWQQYGILYBG-UHFFFAOYSA-N 1 2 360.436 4.356 20 30 FIEDLO CCn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2cc(F)ccc21 ZINC000502530898 1095545486 /nfs/dbraw/zinc/54/54/86/1095545486.db2.gz SNGBWQQYGILYBG-UHFFFAOYSA-N 1 2 360.436 4.356 20 30 FIEDLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000367058613 1095908527 /nfs/dbraw/zinc/90/85/27/1095908527.db2.gz VTIKHBQTYGCGKG-CYBMUJFWSA-N 1 2 350.447 4.181 20 30 FIEDLO Cc1ccc([C@H](CNc2cccc(Cl)c2C#N)[NH+]2CCOCC2)cc1 ZINC000515501912 1098635277 /nfs/dbraw/zinc/63/52/77/1098635277.db2.gz RMDNKTSLLMFRTM-FQEVSTJZSA-N 1 2 355.869 4.006 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989260 1098657878 /nfs/dbraw/zinc/65/78/78/1098657878.db2.gz VFZWZMGQKPWLOL-FGZHOGPDSA-N 1 2 354.457 4.415 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989260 1098657884 /nfs/dbraw/zinc/65/78/84/1098657884.db2.gz VFZWZMGQKPWLOL-FGZHOGPDSA-N 1 2 354.457 4.415 20 30 FIEDLO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000533489398 1099090107 /nfs/dbraw/zinc/09/01/07/1099090107.db2.gz UHWHLOZVUBSKSF-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000533489398 1099090118 /nfs/dbraw/zinc/09/01/18/1099090118.db2.gz UHWHLOZVUBSKSF-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162252889 1099659808 /nfs/dbraw/zinc/65/98/08/1099659808.db2.gz SVJIUACASFNCKV-UHFFFAOYSA-N 1 2 362.539 4.183 20 30 FIEDLO CSCc1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000517044080 1100014130 /nfs/dbraw/zinc/01/41/30/1100014130.db2.gz IRGALQFTTYGILK-UHFFFAOYSA-N 1 2 356.438 4.166 20 30 FIEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c[nH+]1 ZINC000455768818 1100026907 /nfs/dbraw/zinc/02/69/07/1100026907.db2.gz KMTGYMAAYLHRGZ-UHFFFAOYSA-N 1 2 352.438 4.069 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475346 1101234003 /nfs/dbraw/zinc/23/40/03/1101234003.db2.gz IRSWZFVPULMFOH-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475346 1101234008 /nfs/dbraw/zinc/23/40/08/1101234008.db2.gz IRSWZFVPULMFOH-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2cccc(F)c2o1 ZINC000475705982 1101375602 /nfs/dbraw/zinc/37/56/02/1101375602.db2.gz WIFXTASHXZJEME-GFCCVEGCSA-N 1 2 362.364 4.344 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(Cl)c1 ZINC000439436218 1101436733 /nfs/dbraw/zinc/43/67/33/1101436733.db2.gz HULZWQSIDGICDP-UHFFFAOYSA-N 1 2 362.864 4.082 20 30 FIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCO1 ZINC000439436697 1101436879 /nfs/dbraw/zinc/43/68/79/1101436879.db2.gz HYFCTIAOYRPUHG-LJQANCHMSA-N 1 2 370.880 4.401 20 30 FIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCO1 ZINC000439436697 1101436887 /nfs/dbraw/zinc/43/68/87/1101436887.db2.gz HYFCTIAOYRPUHG-LJQANCHMSA-N 1 2 370.880 4.401 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427978 1101576885 /nfs/dbraw/zinc/57/68/85/1101576885.db2.gz QKWRETLHPJLCEZ-CWTRNNRKSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427978 1101576894 /nfs/dbraw/zinc/57/68/94/1101576894.db2.gz QKWRETLHPJLCEZ-CWTRNNRKSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4cc(Br)ccc4C3=O)n21 ZINC000760230758 1101903713 /nfs/dbraw/zinc/90/37/13/1101903713.db2.gz WVOVMLNERXDBBR-LCYFTJDESA-N 1 2 353.219 4.228 20 30 FIEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000506780847 1102088062 /nfs/dbraw/zinc/08/80/62/1102088062.db2.gz YEJGHIQEWWSEGZ-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000506780847 1102088080 /nfs/dbraw/zinc/08/80/80/1102088080.db2.gz YEJGHIQEWWSEGZ-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120607211 1102239578 /nfs/dbraw/zinc/23/95/78/1102239578.db2.gz FHGAFFPIZNYVIB-UHFFFAOYSA-N 1 2 371.506 4.094 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120607211 1102239587 /nfs/dbraw/zinc/23/95/87/1102239587.db2.gz FHGAFFPIZNYVIB-UHFFFAOYSA-N 1 2 371.506 4.094 20 30 FIEDLO N#CCC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000164312387 1102395119 /nfs/dbraw/zinc/39/51/19/1102395119.db2.gz NHWPEHRZRCSGIJ-IBGZPJMESA-N 1 2 354.417 4.272 20 30 FIEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000475885154 1102562606 /nfs/dbraw/zinc/56/26/06/1102562606.db2.gz WZTGXSYHBBIBJV-OAHLLOKOSA-N 1 2 353.466 4.448 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000537650069 1102697132 /nfs/dbraw/zinc/69/71/32/1102697132.db2.gz AUWNBKKGELEZAB-YWZLYKJASA-N 1 2 359.491 4.284 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000537650069 1102697136 /nfs/dbraw/zinc/69/71/36/1102697136.db2.gz AUWNBKKGELEZAB-YWZLYKJASA-N 1 2 359.491 4.284 20 30 FIEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000128393347 1102750726 /nfs/dbraw/zinc/75/07/26/1102750726.db2.gz DNRUFHOSDDMBLH-IERDGZPVSA-N 1 2 363.436 4.011 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760538603 1102968741 /nfs/dbraw/zinc/96/87/41/1102968741.db2.gz MIXQJDVARMOGQC-UHFFFAOYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760538603 1102968746 /nfs/dbraw/zinc/96/87/46/1102968746.db2.gz MIXQJDVARMOGQC-UHFFFAOYSA-N 1 2 360.502 4.486 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)ccc1OC(F)F ZINC000548156979 1103091524 /nfs/dbraw/zinc/09/15/24/1103091524.db2.gz FRWVMKAWSIHQJX-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)ccc1OC(F)F ZINC000548156979 1103091540 /nfs/dbraw/zinc/09/15/40/1103091540.db2.gz FRWVMKAWSIHQJX-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000237208584 1103097305 /nfs/dbraw/zinc/09/73/05/1103097305.db2.gz YDNMMINKALRKHV-FQEVSTJZSA-N 1 2 362.502 4.372 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(SC)cc1OC ZINC000152634388 1103255884 /nfs/dbraw/zinc/25/58/84/1103255884.db2.gz VGMSAQFRZWMFKS-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(SC)cc1OC ZINC000152634388 1103255895 /nfs/dbraw/zinc/25/58/95/1103255895.db2.gz VGMSAQFRZWMFKS-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO C=CC[NH+](CC=C)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000551514658 1103307587 /nfs/dbraw/zinc/30/75/87/1103307587.db2.gz JOSIBHMCFSUJHZ-OAQYLSRUSA-N 1 2 350.462 4.439 20 30 FIEDLO C=CC[NH+](CC=C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000551776704 1103619645 /nfs/dbraw/zinc/61/96/45/1103619645.db2.gz PIWWSGSRICTVRR-NRFANRHFSA-N 1 2 350.462 4.357 20 30 FIEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328712361 1104543321 /nfs/dbraw/zinc/54/33/21/1104543321.db2.gz NJUVVLSUEIYPCU-GDBMZVCRSA-N 1 2 358.511 4.054 20 30 FIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328764655 1104553912 /nfs/dbraw/zinc/55/39/12/1104553912.db2.gz AHSGFURZWNFBFJ-UXLLHSPISA-N 1 2 367.852 4.080 20 30 FIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328764655 1104553923 /nfs/dbraw/zinc/55/39/23/1104553923.db2.gz AHSGFURZWNFBFJ-UXLLHSPISA-N 1 2 367.852 4.080 20 30 FIEDLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CCC2 ZINC000328933630 1104594650 /nfs/dbraw/zinc/59/46/50/1104594650.db2.gz PTSKRJWMILZXMQ-QUCCMNQESA-N 1 2 366.509 4.324 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000330787406 1104676001 /nfs/dbraw/zinc/67/60/01/1104676001.db2.gz XAJYCYRZDRMWHO-UHFFFAOYSA-N 1 2 351.237 4.169 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400366 1104988904 /nfs/dbraw/zinc/98/89/04/1104988904.db2.gz TYIONYNEICWIGN-FQEVSTJZSA-N 1 2 358.844 4.296 20 30 FIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518825055 1104991171 /nfs/dbraw/zinc/99/11/71/1104991171.db2.gz MUCGZSCFRJXQND-WBVHZDCISA-N 1 2 361.432 4.126 20 30 FIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518825055 1104991173 /nfs/dbraw/zinc/99/11/73/1104991173.db2.gz MUCGZSCFRJXQND-WBVHZDCISA-N 1 2 361.432 4.126 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000170983418 1105020371 /nfs/dbraw/zinc/02/03/71/1105020371.db2.gz AACCMAVOZVRVAG-OAHLLOKOSA-N 1 2 371.481 4.290 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000170983418 1105020373 /nfs/dbraw/zinc/02/03/73/1105020373.db2.gz AACCMAVOZVRVAG-OAHLLOKOSA-N 1 2 371.481 4.290 20 30 FIEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000536471128 1105154365 /nfs/dbraw/zinc/15/43/65/1105154365.db2.gz HESHFDLSKTUDBA-UHFFFAOYSA-N 1 2 361.795 4.169 20 30 FIEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000536471128 1105154367 /nfs/dbraw/zinc/15/43/67/1105154367.db2.gz HESHFDLSKTUDBA-UHFFFAOYSA-N 1 2 361.795 4.169 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000475580060 1107808508 /nfs/dbraw/zinc/80/85/08/1107808508.db2.gz DCPAXVDDQRGQBO-UHFFFAOYSA-N 1 2 371.387 4.217 20 30 FIEDLO COc1cc(C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)ccc1C#N ZINC000440824469 1108937117 /nfs/dbraw/zinc/93/71/17/1108937117.db2.gz YDTDFBNUWNOZCG-UHFFFAOYSA-N 1 2 355.385 4.067 20 30 FIEDLO CC(C)c1ccc2ncc(C#N)c(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000447678357 1109617399 /nfs/dbraw/zinc/61/73/99/1109617399.db2.gz ZAESHQKMGXFDMF-UHFFFAOYSA-N 1 2 371.488 4.128 20 30 FIEDLO C=CCC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000448640296 1109848487 /nfs/dbraw/zinc/84/84/87/1109848487.db2.gz UVRQKMSHCLAGNI-UHFFFAOYSA-N 1 2 351.494 4.117 20 30 FIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528584173 1110037831 /nfs/dbraw/zinc/03/78/31/1110037831.db2.gz UKUWQFPCYRZLBK-UHFFFAOYSA-N 1 2 368.456 4.193 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(CCc3ccccc3)n2)C2CC2)cc1 ZINC000450298008 1110276557 /nfs/dbraw/zinc/27/65/57/1110276557.db2.gz LAJBJLIZQSIPEK-UHFFFAOYSA-N 1 2 356.473 4.162 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(CCc3ccccc3)n2)C2CC2)cc1 ZINC000450298008 1110276561 /nfs/dbraw/zinc/27/65/61/1110276561.db2.gz LAJBJLIZQSIPEK-UHFFFAOYSA-N 1 2 356.473 4.162 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785409 1111298621 /nfs/dbraw/zinc/29/86/21/1111298621.db2.gz QDSBERXEWOCBQL-ZIAGYGMSSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785409 1111298624 /nfs/dbraw/zinc/29/86/24/1111298624.db2.gz QDSBERXEWOCBQL-ZIAGYGMSSA-N 1 2 362.408 4.255 20 30 FIEDLO N#Cc1ccnc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000553034072 1111887984 /nfs/dbraw/zinc/88/79/84/1111887984.db2.gz SINAHNBANPBKFY-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000479485670 1112040434 /nfs/dbraw/zinc/04/04/34/1112040434.db2.gz FVVMUZOJINOWTP-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000479485670 1112040439 /nfs/dbraw/zinc/04/04/39/1112040439.db2.gz FVVMUZOJINOWTP-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000553975861 1112148611 /nfs/dbraw/zinc/14/86/11/1112148611.db2.gz RGLDBLXZELMWQO-QGZVFWFLSA-N 1 2 353.491 4.352 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479812846 1112149247 /nfs/dbraw/zinc/14/92/47/1112149247.db2.gz PPWVDOPCXJCMBY-MOPGFXCFSA-N 1 2 365.468 4.098 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479812846 1112149250 /nfs/dbraw/zinc/14/92/50/1112149250.db2.gz PPWVDOPCXJCMBY-MOPGFXCFSA-N 1 2 365.468 4.098 20 30 FIEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000554240538 1112255972 /nfs/dbraw/zinc/25/59/72/1112255972.db2.gz XBSJCWNCGHCYHQ-HXUWFJFHSA-N 1 2 370.456 4.221 20 30 FIEDLO C=CCC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000156335079 1112500565 /nfs/dbraw/zinc/50/05/65/1112500565.db2.gz SITFKDYSSYWVHD-HXUWFJFHSA-N 1 2 364.493 4.189 20 30 FIEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000481736948 1113061249 /nfs/dbraw/zinc/06/12/49/1113061249.db2.gz OOWPLMFSMFYWFT-UHFFFAOYSA-N 1 2 367.522 4.454 20 30 FIEDLO CC[C@H](c1nnc(SC[C@@H](C#N)CCC#N)n1C1CCCCC1)[NH+](C)C ZINC000066399163 1113287389 /nfs/dbraw/zinc/28/73/89/1113287389.db2.gz SDOXZWDKRODCCV-NVXWUHKLSA-N 1 2 374.558 4.332 20 30 FIEDLO C=CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000488338367 1113910786 /nfs/dbraw/zinc/91/07/86/1113910786.db2.gz LGUNGPOAFUHSEA-NRFANRHFSA-N 1 2 363.505 4.438 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000489502255 1114119810 /nfs/dbraw/zinc/11/98/10/1114119810.db2.gz YHJQTNBEXWXPLT-GOSISDBHSA-N 1 2 369.534 4.482 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000489502255 1114119815 /nfs/dbraw/zinc/11/98/15/1114119815.db2.gz YHJQTNBEXWXPLT-GOSISDBHSA-N 1 2 369.534 4.482 20 30 FIEDLO Oc1ccc2ccccc2c1/C=N\C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912962661 1114263644 /nfs/dbraw/zinc/26/36/44/1114263644.db2.gz XRUIYIMDXBRCOR-RRDPUDRWSA-N 1 2 360.457 4.038 20 30 FIEDLO N#Cc1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000571215310 1114447010 /nfs/dbraw/zinc/44/70/10/1114447010.db2.gz PBGODSOPCFTCHA-UHFFFAOYSA-N 1 2 371.469 4.157 20 30 FIEDLO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000587866817 1114496006 /nfs/dbraw/zinc/49/60/06/1114496006.db2.gz ZAHACRRAKNFNNC-CYBMUJFWSA-N 1 2 365.662 4.012 20 30 FIEDLO N#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000588360188 1114583830 /nfs/dbraw/zinc/58/38/30/1114583830.db2.gz ANGAFXIGMPSUDV-QGZVFWFLSA-N 1 2 365.880 4.034 20 30 FIEDLO N#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000588360188 1114583833 /nfs/dbraw/zinc/58/38/33/1114583833.db2.gz ANGAFXIGMPSUDV-QGZVFWFLSA-N 1 2 365.880 4.034 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(=Cc4cccc(F)c4)CC3)o2)c1 ZINC000572215979 1114622256 /nfs/dbraw/zinc/62/22/56/1114622256.db2.gz DVKQZCZBUCZQBV-UHFFFAOYSA-N 1 2 374.419 4.427 20 30 FIEDLO N#Cc1cnccc1C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000592121215 1115203877 /nfs/dbraw/zinc/20/38/77/1115203877.db2.gz PVIHOCKSHZUKRQ-UHFFFAOYSA-N 1 2 363.358 4.433 20 30 FIEDLO N#CCCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000593976370 1115360024 /nfs/dbraw/zinc/36/00/24/1115360024.db2.gz WPIBBWNFYFDTES-UHFFFAOYSA-N 1 2 372.472 4.299 20 30 FIEDLO Cc1cc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)ccc1F ZINC000595641052 1115554359 /nfs/dbraw/zinc/55/43/59/1115554359.db2.gz YCVSPSLFQWUARS-UHFFFAOYSA-N 1 2 350.397 4.081 20 30 FIEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@H](CC#N)C1 ZINC000596330610 1115584576 /nfs/dbraw/zinc/58/45/76/1115584576.db2.gz MBUCUNMWFUWCIV-MRXNPFEDSA-N 1 2 351.450 4.158 20 30 FIEDLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000603632205 1115800537 /nfs/dbraw/zinc/80/05/37/1115800537.db2.gz REJYRYTYUCXOHN-LLVKDONJSA-N 1 2 372.350 4.077 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)ccc1Cl ZINC000599622464 1115831124 /nfs/dbraw/zinc/83/11/24/1115831124.db2.gz IYYGYPSETVDKQH-CQSZACIVSA-N 1 2 369.843 4.015 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)ccc1Cl ZINC000599622464 1115831126 /nfs/dbraw/zinc/83/11/26/1115831126.db2.gz IYYGYPSETVDKQH-CQSZACIVSA-N 1 2 369.843 4.015 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000599677452 1115837568 /nfs/dbraw/zinc/83/75/68/1115837568.db2.gz HKBODWBKYIXGJB-UHFFFAOYSA-N 1 2 355.363 4.201 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000599677452 1115837571 /nfs/dbraw/zinc/83/75/71/1115837571.db2.gz HKBODWBKYIXGJB-UHFFFAOYSA-N 1 2 355.363 4.201 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1cccs1 ZINC000534498857 1116207823 /nfs/dbraw/zinc/20/78/23/1116207823.db2.gz MMITWDKBXPXOPO-UHFFFAOYSA-N 1 2 358.492 4.197 20 30 FIEDLO Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c[nH+]1 ZINC000535036274 1116261707 /nfs/dbraw/zinc/26/17/07/1116261707.db2.gz MTRGENUPAAWSAN-UHFFFAOYSA-N 1 2 359.454 4.396 20 30 FIEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)C1=O ZINC000539709855 1116368591 /nfs/dbraw/zinc/36/85/91/1116368591.db2.gz AKBBIFQSARDAJZ-PMACEKPBSA-N 1 2 372.871 4.253 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889058 1116395396 /nfs/dbraw/zinc/39/53/96/1116395396.db2.gz QHNAMZRMYOQEGK-KGLIPLIRSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889058 1116395399 /nfs/dbraw/zinc/39/53/99/1116395399.db2.gz QHNAMZRMYOQEGK-KGLIPLIRSA-N 1 2 362.408 4.255 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C(F)(F)F)c1 ZINC000463199225 1118030303 /nfs/dbraw/zinc/03/03/03/1118030303.db2.gz YLILBWRHMYUHAJ-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C(F)(F)F)c1 ZINC000463199225 1118030312 /nfs/dbraw/zinc/03/03/12/1118030312.db2.gz YLILBWRHMYUHAJ-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)cc1 ZINC000463841692 1118348981 /nfs/dbraw/zinc/34/89/81/1118348981.db2.gz VCIZSBFXJPBSEA-UHFFFAOYSA-N 1 2 374.488 4.175 20 30 FIEDLO CCOc1ccc(-c2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)co2)cc1 ZINC000271792783 1118903057 /nfs/dbraw/zinc/90/30/57/1118903057.db2.gz NUGNOEYLPRTOSR-UHFFFAOYSA-N 1 2 359.429 4.391 20 30 FIEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000175046114 1119173643 /nfs/dbraw/zinc/17/36/43/1119173643.db2.gz OCKYMPIHVQDDQT-UHFFFAOYSA-N 1 2 370.456 4.152 20 30 FIEDLO CN(C)c1cccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000492748958 1119178076 /nfs/dbraw/zinc/17/80/76/1119178076.db2.gz NFFVAXWFHATUGH-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO CN(C)c1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000492748958 1119178080 /nfs/dbraw/zinc/17/80/80/1119178080.db2.gz NFFVAXWFHATUGH-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO CCCCn1c(SCC#Cc2ccccc2)nnc1[C@@H](CC)[NH+](C)C ZINC000191455795 1119978040 /nfs/dbraw/zinc/97/80/40/1119978040.db2.gz UHBKHVPBMTWXHE-GOSISDBHSA-N 1 2 356.539 4.235 20 30 FIEDLO Cc1cnc([C@H]([NH2+]Cc2cc(C#N)ccc2Br)C2CC2)s1 ZINC000191824861 1119997724 /nfs/dbraw/zinc/99/77/24/1119997724.db2.gz SEAKGMFFWAYSQI-OAHLLOKOSA-N 1 2 362.296 4.327 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000761761803 1120354830 /nfs/dbraw/zinc/35/48/30/1120354830.db2.gz PXHBJBCQFCVXFW-QHCPKHFHSA-N 1 2 371.440 4.319 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000761761803 1120354838 /nfs/dbraw/zinc/35/48/38/1120354838.db2.gz PXHBJBCQFCVXFW-QHCPKHFHSA-N 1 2 371.440 4.319 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CCO2)c1 ZINC000761764494 1120359914 /nfs/dbraw/zinc/35/99/14/1120359914.db2.gz ALHVWYVYIZKSBG-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CCO2)c1 ZINC000761764494 1120359920 /nfs/dbraw/zinc/35/99/20/1120359920.db2.gz ALHVWYVYIZKSBG-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495078169 1120462412 /nfs/dbraw/zinc/46/24/12/1120462412.db2.gz IJCGLUJAZKHUKP-KRWDZBQOSA-N 1 2 362.399 4.086 20 30 FIEDLO N#C[C@H](C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041403 1121096892 /nfs/dbraw/zinc/09/68/92/1121096892.db2.gz MUVJQRBVZGRXND-UGKGYDQZSA-N 1 2 355.441 4.076 20 30 FIEDLO N#C[C@H](C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041403 1121096901 /nfs/dbraw/zinc/09/69/01/1121096901.db2.gz MUVJQRBVZGRXND-UGKGYDQZSA-N 1 2 355.441 4.076 20 30 FIEDLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000080722197 1121302542 /nfs/dbraw/zinc/30/25/42/1121302542.db2.gz RNTHDMZYDCXGRC-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000080722197 1121302551 /nfs/dbraw/zinc/30/25/51/1121302551.db2.gz RNTHDMZYDCXGRC-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332666 1121334498 /nfs/dbraw/zinc/33/44/98/1121334498.db2.gz NCBGTHWKZMSDPC-GOSISDBHSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332666 1121334508 /nfs/dbraw/zinc/33/45/08/1121334508.db2.gz NCBGTHWKZMSDPC-GOSISDBHSA-N 1 2 354.523 4.265 20 30 FIEDLO CC(N=Nc1cccc2ncccc12)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000915963494 1121364816 /nfs/dbraw/zinc/36/48/16/1121364816.db2.gz ASMGNFWZXRRCMJ-QFIPXVFZSA-N 1 2 360.461 4.096 20 30 FIEDLO Clc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1Cl ZINC000916249524 1121457156 /nfs/dbraw/zinc/45/71/56/1121457156.db2.gz VTOFSSUPDFMUKP-UHFFFAOYSA-N 1 2 356.278 4.338 20 30 FIEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780554700 1121581025 /nfs/dbraw/zinc/58/10/25/1121581025.db2.gz KQIHIYRVHGVWGP-UHFFFAOYSA-N 1 2 372.259 4.044 20 30 FIEDLO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000127392382 1122089580 /nfs/dbraw/zinc/08/95/80/1122089580.db2.gz KNLWGCJQHHZTHE-QPJICYPMSA-N 1 2 370.443 4.186 20 30 FIEDLO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000127392382 1122089588 /nfs/dbraw/zinc/08/95/88/1122089588.db2.gz KNLWGCJQHHZTHE-QPJICYPMSA-N 1 2 370.443 4.186 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000497723576 1122376842 /nfs/dbraw/zinc/37/68/42/1122376842.db2.gz NEIVIHNWGUILSP-UHFFFAOYSA-N 1 2 372.453 4.197 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000918187506 1122586550 /nfs/dbraw/zinc/58/65/50/1122586550.db2.gz CQLHWENXPVOFMA-UHFFFAOYSA-N 1 2 353.393 4.129 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000918187506 1122586552 /nfs/dbraw/zinc/58/65/52/1122586552.db2.gz CQLHWENXPVOFMA-UHFFFAOYSA-N 1 2 353.393 4.129 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000194965055 1123057189 /nfs/dbraw/zinc/05/71/89/1123057189.db2.gz CUIJLMVSZNLLAJ-UHFFFAOYSA-N 1 2 373.378 4.180 20 30 FIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000194965055 1123057191 /nfs/dbraw/zinc/05/71/91/1123057191.db2.gz CUIJLMVSZNLLAJ-UHFFFAOYSA-N 1 2 373.378 4.180 20 30 FIEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1=S ZINC000919954876 1123282967 /nfs/dbraw/zinc/28/29/67/1123282967.db2.gz ROLOTYZTCMQYSD-MRXNPFEDSA-N 1 2 362.930 4.227 20 30 FIEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1=S ZINC000919954876 1123282970 /nfs/dbraw/zinc/28/29/70/1123282970.db2.gz ROLOTYZTCMQYSD-MRXNPFEDSA-N 1 2 362.930 4.227 20 30 FIEDLO C[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1n1cc[nH+]c1 ZINC000301646181 1124248837 /nfs/dbraw/zinc/24/88/37/1124248837.db2.gz PMJLDEJRMIDMKN-FZKQIMNGSA-N 1 2 351.841 4.044 20 30 FIEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c(Br)c1 ZINC000301834838 1124263712 /nfs/dbraw/zinc/26/37/12/1124263712.db2.gz KQPFHFPOPVLEIE-UHFFFAOYSA-N 1 2 371.282 4.318 20 30 FIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554310121 1124326572 /nfs/dbraw/zinc/32/65/72/1124326572.db2.gz IFDQPKSAGGAJTG-KRWDZBQOSA-N 1 2 371.506 4.267 20 30 FIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554310121 1124326583 /nfs/dbraw/zinc/32/65/83/1124326583.db2.gz IFDQPKSAGGAJTG-KRWDZBQOSA-N 1 2 371.506 4.267 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076803738 1125042060 /nfs/dbraw/zinc/04/20/60/1125042060.db2.gz XVSBWUBWWSARTD-QGZVFWFLSA-N 1 2 357.841 4.360 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076803738 1125042070 /nfs/dbraw/zinc/04/20/70/1125042070.db2.gz XVSBWUBWWSARTD-QGZVFWFLSA-N 1 2 357.841 4.360 20 30 FIEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000618741112 1125258711 /nfs/dbraw/zinc/25/87/11/1125258711.db2.gz AFWXCHPTJJGGGD-FQEVSTJZSA-N 1 2 361.470 4.371 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000070059324 1125270659 /nfs/dbraw/zinc/27/06/59/1125270659.db2.gz DZYXNTFBEPONPH-UHFFFAOYSA-N 1 2 366.509 4.209 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c(F)c1 ZINC000047797337 205149412 /nfs/dbraw/zinc/14/94/12/205149412.db2.gz YEEMUWJRSBMKQN-UHFFFAOYSA-N 1 2 358.363 4.070 20 30 FIEDLO CC(C)C[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)n1cc[nH+]c1 ZINC000602094630 567933022 /nfs/dbraw/zinc/93/30/22/567933022.db2.gz CPAGCMOUOLXRDY-DOTOQJQBSA-N 1 2 356.495 4.361 20 30 FIEDLO C[C@H](NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2)c1cccs1 ZINC000328654748 571326192 /nfs/dbraw/zinc/32/61/92/571326192.db2.gz XTTFQWPDIRIYCA-YOEHRIQHSA-N 1 2 372.538 4.215 20 30 FIEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000619272970 1125546778 /nfs/dbraw/zinc/54/67/78/1125546778.db2.gz BTUGBJAGKIMQOI-LJQANCHMSA-N 1 2 359.395 4.146 20 30 FIEDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cnn1-c1ccc(F)cc1 ZINC000182999586 1125713247 /nfs/dbraw/zinc/71/32/47/1125713247.db2.gz VFHIXDPBHLMNAY-CYBMUJFWSA-N 1 2 352.388 4.181 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300391 1080247018 /nfs/dbraw/zinc/24/70/18/1080247018.db2.gz GCLCLKUJLWVWEK-MRXNPFEDSA-N 1 2 367.880 4.077 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300391 1080247027 /nfs/dbraw/zinc/24/70/27/1080247027.db2.gz GCLCLKUJLWVWEK-MRXNPFEDSA-N 1 2 367.880 4.077 20 30 FIEDLO C#C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC001625821368 1080306653 /nfs/dbraw/zinc/30/66/53/1080306653.db2.gz KGTUNAHATDKETJ-UHOSZYNNSA-N 1 2 367.880 4.196 20 30 FIEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H](c4nc(C)c(C)s4)C3)ccc2[nH+]1 ZINC000328622759 1080667488 /nfs/dbraw/zinc/66/74/88/1080667488.db2.gz YKXGPNXMSIRMHX-OAHLLOKOSA-N 1 2 369.494 4.141 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510221422 1080801918 /nfs/dbraw/zinc/80/19/18/1080801918.db2.gz HZUKQHJIOKLGQK-UHFFFAOYSA-N 1 2 359.882 4.124 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510221422 1080801926 /nfs/dbraw/zinc/80/19/26/1080801926.db2.gz HZUKQHJIOKLGQK-UHFFFAOYSA-N 1 2 359.882 4.124 20 30 FIEDLO O=C1c2c(c(F)ccc2Br)C/C1=C/c1cccc2[nH+]ccn21 ZINC000255086049 1081135248 /nfs/dbraw/zinc/13/52/48/1081135248.db2.gz YZNAAAHCYVHIFR-NTMALXAHSA-N 1 2 357.182 4.058 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023667433 1081263383 /nfs/dbraw/zinc/26/33/83/1081263383.db2.gz ZKSXJRSRUCCRPI-LLVKDONJSA-N 1 2 363.795 4.121 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023667433 1081263389 /nfs/dbraw/zinc/26/33/89/1081263389.db2.gz ZKSXJRSRUCCRPI-LLVKDONJSA-N 1 2 363.795 4.121 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000581840548 1082921658 /nfs/dbraw/zinc/92/16/58/1082921658.db2.gz PEJYGFNQZNMXJD-UHFFFAOYSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000581840548 1082921660 /nfs/dbraw/zinc/92/16/60/1082921660.db2.gz PEJYGFNQZNMXJD-UHFFFAOYSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983839 1083320899 /nfs/dbraw/zinc/32/08/99/1083320899.db2.gz NBYSVUZHBDDUJJ-CYBMUJFWSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983839 1083320902 /nfs/dbraw/zinc/32/09/02/1083320902.db2.gz NBYSVUZHBDDUJJ-CYBMUJFWSA-N 1 2 369.303 4.228 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC(F)F)cc1 ZINC000179602421 1083574378 /nfs/dbraw/zinc/57/43/78/1083574378.db2.gz XHJTVDWWYCZZAQ-GFCCVEGCSA-N 1 2 370.359 4.060 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(F)c(Br)c1 ZINC000162245155 1083723971 /nfs/dbraw/zinc/72/39/71/1083723971.db2.gz HNKJTNNTPCUFHA-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@@](C)(C#N)C4)cc3)nc12 ZINC000612406504 1083773827 /nfs/dbraw/zinc/77/38/27/1083773827.db2.gz NUZBPNPSAFSSCV-QHCPKHFHSA-N 1 2 374.488 4.347 20 30 FIEDLO Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@@](C)(C#N)C4)cc3)nc12 ZINC000612406504 1083773836 /nfs/dbraw/zinc/77/38/36/1083773836.db2.gz NUZBPNPSAFSSCV-QHCPKHFHSA-N 1 2 374.488 4.347 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407169 1083780967 /nfs/dbraw/zinc/78/09/67/1083780967.db2.gz ZQMWPBFQRDUHKS-FQEVSTJZSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407169 1083780977 /nfs/dbraw/zinc/78/09/77/1083780977.db2.gz ZQMWPBFQRDUHKS-FQEVSTJZSA-N 1 2 356.901 4.327 20 30 FIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3ccco3)c3ccccc3)C2=O)cc1 ZINC000179968467 1083940563 /nfs/dbraw/zinc/94/05/63/1083940563.db2.gz LQWLWMNKHQNXBM-IFMALSPDSA-N 1 2 371.440 4.026 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Br)ccc1F ZINC000162265808 1084056023 /nfs/dbraw/zinc/05/60/23/1084056023.db2.gz WHVAVDLBEDWJLD-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178533197 1084641087 /nfs/dbraw/zinc/64/10/87/1084641087.db2.gz VUEXOYIZQYKKHU-SFTDATJTSA-N 1 2 371.444 4.114 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000613493794 1084832325 /nfs/dbraw/zinc/83/23/25/1084832325.db2.gz OLFALFVYROFVPI-QGZVFWFLSA-N 1 2 365.315 4.011 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000613493794 1084832333 /nfs/dbraw/zinc/83/23/33/1084832333.db2.gz OLFALFVYROFVPI-QGZVFWFLSA-N 1 2 365.315 4.011 20 30 FIEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1C(C)(C)C#N ZINC000511104710 1084914528 /nfs/dbraw/zinc/91/45/28/1084914528.db2.gz IIJPDJBINQFXAP-UHFFFAOYSA-N 1 2 352.463 4.231 20 30 FIEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1C(C)(C)C#N ZINC000511104710 1084914532 /nfs/dbraw/zinc/91/45/32/1084914532.db2.gz IIJPDJBINQFXAP-UHFFFAOYSA-N 1 2 352.463 4.231 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046519208 1085439230 /nfs/dbraw/zinc/43/92/30/1085439230.db2.gz SUTOVKMZNJQEBQ-UHFFFAOYSA-N 1 2 369.468 4.220 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046519208 1085439235 /nfs/dbraw/zinc/43/92/35/1085439235.db2.gz SUTOVKMZNJQEBQ-UHFFFAOYSA-N 1 2 369.468 4.220 20 30 FIEDLO C=CC[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@@H](C)COC ZINC000661243428 1085478699 /nfs/dbraw/zinc/47/86/99/1085478699.db2.gz LHMFBHOCJQAHLM-NSHDSACASA-N 1 2 356.253 4.066 20 30 FIEDLO C=CC[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@@H](C)COC ZINC000661243428 1085478704 /nfs/dbraw/zinc/47/87/04/1085478704.db2.gz LHMFBHOCJQAHLM-NSHDSACASA-N 1 2 356.253 4.066 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)c(OC)cc1OC ZINC000651805592 1085511047 /nfs/dbraw/zinc/51/10/47/1085511047.db2.gz WROGPQAKSGCNNC-UHFFFAOYSA-N 1 2 361.461 4.199 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)c(OC)cc1OC ZINC000651805592 1085511054 /nfs/dbraw/zinc/51/10/54/1085511054.db2.gz WROGPQAKSGCNNC-UHFFFAOYSA-N 1 2 361.461 4.199 20 30 FIEDLO C[C@H](c1nnc(SCCC(C)(C)C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000078924028 1085943295 /nfs/dbraw/zinc/94/32/95/1085943295.db2.gz ZDSHJMWIKCOHHO-CYBMUJFWSA-N 1 2 361.490 4.061 20 30 FIEDLO N#Cc1cc(Cl)cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC001167655787 1086284373 /nfs/dbraw/zinc/28/43/73/1086284373.db2.gz AHWHPYUHSVZNSH-UHFFFAOYSA-N 1 2 360.288 4.183 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1C#N ZINC000535962274 1086409625 /nfs/dbraw/zinc/40/96/25/1086409625.db2.gz CCSYYIOTUCFZMR-QRWLVFNGSA-N 1 2 366.486 4.023 20 30 FIEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1C#N ZINC000535962274 1086409632 /nfs/dbraw/zinc/40/96/32/1086409632.db2.gz CCSYYIOTUCFZMR-QRWLVFNGSA-N 1 2 366.486 4.023 20 30 FIEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000184740639 1087673133 /nfs/dbraw/zinc/67/31/33/1087673133.db2.gz BDEUBOVUWDUVNS-GFCCVEGCSA-N 1 2 354.397 4.306 20 30 FIEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596048 1088645912 /nfs/dbraw/zinc/64/59/12/1088645912.db2.gz SKSLRUVXJGCFQS-UHFFFAOYSA-N 1 2 358.445 4.102 20 30 FIEDLO CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000425192543 1089046751 /nfs/dbraw/zinc/04/67/51/1089046751.db2.gz ZQGBTKOPUKLLTM-UWJYYQICSA-N 1 2 372.472 4.413 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000460361508 1089189761 /nfs/dbraw/zinc/18/97/61/1089189761.db2.gz UXKXZNIWFVTDJA-VQIMIIECSA-N 1 2 367.518 4.381 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000460361508 1089189764 /nfs/dbraw/zinc/18/97/64/1089189764.db2.gz UXKXZNIWFVTDJA-VQIMIIECSA-N 1 2 367.518 4.381 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000515079213 1089759197 /nfs/dbraw/zinc/75/91/97/1089759197.db2.gz NTQWTQMWYJDDJQ-KRWDZBQOSA-N 1 2 353.491 4.071 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000515079213 1089759214 /nfs/dbraw/zinc/75/92/14/1089759214.db2.gz NTQWTQMWYJDDJQ-KRWDZBQOSA-N 1 2 353.491 4.071 20 30 FIEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)sc2C1 ZINC000328872074 1090000116 /nfs/dbraw/zinc/00/01/16/1090000116.db2.gz YNHRNIFUWQYVBJ-SFHVURJKSA-N 1 2 371.506 4.420 20 30 FIEDLO C[N@H+]1CCc2nc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)sc2C1 ZINC000328872074 1090000123 /nfs/dbraw/zinc/00/01/23/1090000123.db2.gz YNHRNIFUWQYVBJ-SFHVURJKSA-N 1 2 371.506 4.420 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458810993 1091677277 /nfs/dbraw/zinc/67/72/77/1091677277.db2.gz NTZKYYCQYUFTPQ-MOPGFXCFSA-N 1 2 352.482 4.013 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000512505814 1092597590 /nfs/dbraw/zinc/59/75/90/1092597590.db2.gz CFLBYTOEKYLOMU-GOSISDBHSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000512505814 1092597597 /nfs/dbraw/zinc/59/75/97/1092597597.db2.gz CFLBYTOEKYLOMU-GOSISDBHSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000512512197 1092606983 /nfs/dbraw/zinc/60/69/83/1092606983.db2.gz RLDMTWYZIUWVSO-GOSISDBHSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000512512197 1092606990 /nfs/dbraw/zinc/60/69/90/1092606990.db2.gz RLDMTWYZIUWVSO-GOSISDBHSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512511764 1092608507 /nfs/dbraw/zinc/60/85/07/1092608507.db2.gz LMUCMKBOSQDKBH-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512511764 1092608520 /nfs/dbraw/zinc/60/85/20/1092608520.db2.gz LMUCMKBOSQDKBH-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cnn(C(C)C)c1 ZINC000512516339 1092616621 /nfs/dbraw/zinc/61/66/21/1092616621.db2.gz FAGWGXRNQIVSNK-UHFFFAOYSA-N 1 2 363.509 4.287 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cnn(C(C)C)c1 ZINC000512516339 1092616625 /nfs/dbraw/zinc/61/66/25/1092616625.db2.gz FAGWGXRNQIVSNK-UHFFFAOYSA-N 1 2 363.509 4.287 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)cn1 ZINC000512517146 1092619391 /nfs/dbraw/zinc/61/93/91/1092619391.db2.gz QXZSCCPNHABADE-UHFFFAOYSA-N 1 2 363.303 4.200 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)cn1 ZINC000512517146 1092619415 /nfs/dbraw/zinc/61/94/15/1092619415.db2.gz QXZSCCPNHABADE-UHFFFAOYSA-N 1 2 363.303 4.200 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000512521261 1092628480 /nfs/dbraw/zinc/62/84/80/1092628480.db2.gz BVLCSEVGCHNDFK-LJQANCHMSA-N 1 2 368.525 4.284 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000512521261 1092628484 /nfs/dbraw/zinc/62/84/84/1092628484.db2.gz BVLCSEVGCHNDFK-LJQANCHMSA-N 1 2 368.525 4.284 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442888228 1092841669 /nfs/dbraw/zinc/84/16/69/1092841669.db2.gz FSCLTWZQIJWCQC-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442888228 1092841677 /nfs/dbraw/zinc/84/16/77/1092841677.db2.gz FSCLTWZQIJWCQC-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000521711425 1092869049 /nfs/dbraw/zinc/86/90/49/1092869049.db2.gz XJPAFYJSHPWEEL-QHCPKHFHSA-N 1 2 373.500 4.082 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000521711425 1092869060 /nfs/dbraw/zinc/86/90/60/1092869060.db2.gz XJPAFYJSHPWEEL-QHCPKHFHSA-N 1 2 373.500 4.082 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121067294 1092963713 /nfs/dbraw/zinc/96/37/13/1092963713.db2.gz OWLACOPIGBLNIY-ZDUSSCGKSA-N 1 2 374.510 4.288 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121067294 1092963714 /nfs/dbraw/zinc/96/37/14/1092963714.db2.gz OWLACOPIGBLNIY-ZDUSSCGKSA-N 1 2 374.510 4.288 20 30 FIEDLO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)cc1F ZINC000512654262 1093082728 /nfs/dbraw/zinc/08/27/28/1093082728.db2.gz KUUVVQISYWCHRO-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000474277447 1093646433 /nfs/dbraw/zinc/64/64/33/1093646433.db2.gz SRTUHRXKZLTYQG-GGAORHGYSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000474277447 1093646440 /nfs/dbraw/zinc/64/64/40/1093646440.db2.gz SRTUHRXKZLTYQG-GGAORHGYSA-N 1 2 356.473 4.453 20 30 FIEDLO C=CCCC1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000474386152 1093729107 /nfs/dbraw/zinc/72/91/07/1093729107.db2.gz BMJMEURFAKRAJB-UHFFFAOYSA-N 1 2 367.518 4.386 20 30 FIEDLO C=CCCC1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000474386152 1093729114 /nfs/dbraw/zinc/72/91/14/1093729114.db2.gz BMJMEURFAKRAJB-UHFFFAOYSA-N 1 2 367.518 4.386 20 30 FIEDLO N#CC(CC[N@H+]1CCOC[C@@H]1CC(F)F)(c1ccccc1)c1ccccc1 ZINC000513414184 1094113530 /nfs/dbraw/zinc/11/35/30/1094113530.db2.gz CGAPSNVJAAQNEM-FQEVSTJZSA-N 1 2 370.443 4.242 20 30 FIEDLO N#CC(CC[N@@H+]1CCOC[C@@H]1CC(F)F)(c1ccccc1)c1ccccc1 ZINC000513414184 1094113532 /nfs/dbraw/zinc/11/35/32/1094113532.db2.gz CGAPSNVJAAQNEM-FQEVSTJZSA-N 1 2 370.443 4.242 20 30 FIEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000329709674 1095179292 /nfs/dbraw/zinc/17/92/92/1095179292.db2.gz NGDNMYCRWKGXIA-VDGAXYAQSA-N 1 2 352.482 4.066 20 30 FIEDLO Cc1c([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cnn1-c1ccc(F)cc1 ZINC000428313046 1095221266 /nfs/dbraw/zinc/22/12/66/1095221266.db2.gz PKAGRGLGBVVQLM-ZDUSSCGKSA-N 1 2 352.388 4.181 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329815258 1095274756 /nfs/dbraw/zinc/27/47/56/1095274756.db2.gz NVSHPNZDDCZWCQ-BEFAXECRSA-N 1 2 352.482 4.217 20 30 FIEDLO C[C@H]1CCSCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329822768 1095278250 /nfs/dbraw/zinc/27/82/50/1095278250.db2.gz QCDINMFLJWSAQW-HNNXBMFYSA-N 1 2 370.522 4.259 20 30 FIEDLO Cc1ccccc1[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000329881048 1095304311 /nfs/dbraw/zinc/30/43/11/1095304311.db2.gz AJRFKNNGYSNXFV-FFZOFVMBSA-N 1 2 352.482 4.140 20 30 FIEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000330220417 1095422773 /nfs/dbraw/zinc/42/27/73/1095422773.db2.gz QFSPXTCMRFDIMT-JKSUJKDBSA-N 1 2 368.472 4.212 20 30 FIEDLO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330229645 1095427376 /nfs/dbraw/zinc/42/73/76/1095427376.db2.gz QESKRKVASVRGDN-CYBMUJFWSA-N 1 2 360.408 4.002 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000143212034 1095816486 /nfs/dbraw/zinc/81/64/86/1095816486.db2.gz FDXDDRKYPCUDHY-KRWDZBQOSA-N 1 2 360.461 4.139 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000143212034 1095816499 /nfs/dbraw/zinc/81/64/99/1095816499.db2.gz FDXDDRKYPCUDHY-KRWDZBQOSA-N 1 2 360.461 4.139 20 30 FIEDLO CC1(C#N)CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000272522259 1096188129 /nfs/dbraw/zinc/18/81/29/1096188129.db2.gz HMCNSSLQJUYEKK-LJQANCHMSA-N 1 2 358.445 4.452 20 30 FIEDLO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccc(C#N)cc1 ZINC000183920573 1096346794 /nfs/dbraw/zinc/34/67/94/1096346794.db2.gz COVKSCQWMHJXKU-UHFFFAOYSA-N 1 2 364.474 4.181 20 30 FIEDLO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccc(C#N)cc1 ZINC000183920573 1096346796 /nfs/dbraw/zinc/34/67/96/1096346796.db2.gz COVKSCQWMHJXKU-UHFFFAOYSA-N 1 2 364.474 4.181 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000533225289 1098890767 /nfs/dbraw/zinc/89/07/67/1098890767.db2.gz KYASTPCLILKNOD-HNNXBMFYSA-N 1 2 371.481 4.290 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000533225289 1098890777 /nfs/dbraw/zinc/89/07/77/1098890777.db2.gz KYASTPCLILKNOD-HNNXBMFYSA-N 1 2 371.481 4.290 20 30 FIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515737425 1098902309 /nfs/dbraw/zinc/90/23/09/1098902309.db2.gz HZYDPYQLUWNNPB-QWRGUYRKSA-N 1 2 363.795 4.168 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000533343861 1098977717 /nfs/dbraw/zinc/97/77/17/1098977717.db2.gz WJLZGXXUBGVTRP-UHFFFAOYSA-N 1 2 374.488 4.139 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000533343861 1098977719 /nfs/dbraw/zinc/97/77/19/1098977719.db2.gz WJLZGXXUBGVTRP-UHFFFAOYSA-N 1 2 374.488 4.139 20 30 FIEDLO Cc1cc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ccc1F ZINC000425541804 1098994769 /nfs/dbraw/zinc/99/47/69/1098994769.db2.gz XHIBNJKDOSJVDO-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)ccc1F ZINC000425541804 1098994770 /nfs/dbraw/zinc/99/47/70/1098994770.db2.gz XHIBNJKDOSJVDO-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390494 1099019819 /nfs/dbraw/zinc/01/98/19/1099019819.db2.gz NBKPGSZOPXBONR-HSZRJFAPSA-N 1 2 369.468 4.106 20 30 FIEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390494 1099019832 /nfs/dbraw/zinc/01/98/32/1099019832.db2.gz NBKPGSZOPXBONR-HSZRJFAPSA-N 1 2 369.468 4.106 20 30 FIEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000533538661 1099147019 /nfs/dbraw/zinc/14/70/19/1099147019.db2.gz YBSGSYIHOJVBBK-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000533538661 1099147036 /nfs/dbraw/zinc/14/70/36/1099147036.db2.gz YBSGSYIHOJVBBK-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO CC1(C#N)CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000506042305 1099879222 /nfs/dbraw/zinc/87/92/22/1099879222.db2.gz QYBAQJGZISKYQA-UHFFFAOYSA-N 1 2 357.679 4.107 20 30 FIEDLO N#Cc1ccccc1Cn1cccc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000615132817 1100082284 /nfs/dbraw/zinc/08/22/84/1100082284.db2.gz ANBAURKQGAVWFA-UHFFFAOYSA-N 1 2 367.456 4.127 20 30 FIEDLO COCCSc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459396655 1100121731 /nfs/dbraw/zinc/12/17/31/1100121731.db2.gz QVOWDPXILJVQRD-AWEZNQCLSA-N 1 2 371.462 4.056 20 30 FIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000537158728 1101505104 /nfs/dbraw/zinc/50/51/04/1101505104.db2.gz NJDSUNYSAAREMS-LLVKDONJSA-N 1 2 350.340 4.158 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000103077728 1102094318 /nfs/dbraw/zinc/09/43/18/1102094318.db2.gz DNOPPRRIXCOIDJ-UHFFFAOYSA-N 1 2 372.428 4.024 20 30 FIEDLO COc1cc(C(N)=[NH+]OCCC2(C#N)CCCCC2)ccc1OC(F)F ZINC000842019186 1102167753 /nfs/dbraw/zinc/16/77/53/1102167753.db2.gz NFVUVDSRLBELAY-UHFFFAOYSA-N 1 2 367.396 4.007 20 30 FIEDLO C=CCc1cc(OCC)cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1O ZINC000729849467 1102676166 /nfs/dbraw/zinc/67/61/66/1102676166.db2.gz LDDXLAIMQFPGMR-UHFFFAOYSA-N 1 2 371.481 4.160 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411689 1103028864 /nfs/dbraw/zinc/02/88/64/1103028864.db2.gz QLMBYVPNELXOND-MRXNPFEDSA-N 1 2 354.885 4.124 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411689 1103028880 /nfs/dbraw/zinc/02/88/80/1103028880.db2.gz QLMBYVPNELXOND-MRXNPFEDSA-N 1 2 354.885 4.124 20 30 FIEDLO C=C(Br)C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000729682966 1103039582 /nfs/dbraw/zinc/03/95/82/1103039582.db2.gz ZYISSCYOZCOCQL-UHFFFAOYSA-N 1 2 372.669 4.031 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000237606774 1103100221 /nfs/dbraw/zinc/10/02/21/1103100221.db2.gz BLSBALBRCIUUTP-ZIAGYGMSSA-N 1 2 366.396 4.017 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1OC ZINC000507342235 1103314909 /nfs/dbraw/zinc/31/49/09/1103314909.db2.gz RSMHEXDIYZFNTB-QFIPXVFZSA-N 1 2 371.452 4.363 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1OC ZINC000507342235 1103314924 /nfs/dbraw/zinc/31/49/24/1103314924.db2.gz RSMHEXDIYZFNTB-QFIPXVFZSA-N 1 2 371.452 4.363 20 30 FIEDLO N#Cc1ncccc1NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000519609278 1103470514 /nfs/dbraw/zinc/47/05/14/1103470514.db2.gz GQGVLLDQTOFPLI-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000440890106 1104021915 /nfs/dbraw/zinc/02/19/15/1104021915.db2.gz GKJAIFYDRSCTPN-GOSISDBHSA-N 1 2 365.477 4.369 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000440890106 1104021925 /nfs/dbraw/zinc/02/19/25/1104021925.db2.gz GKJAIFYDRSCTPN-GOSISDBHSA-N 1 2 365.477 4.369 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739655 1104545410 /nfs/dbraw/zinc/54/54/10/1104545410.db2.gz LJPJVKGAOCBNJZ-UONOGXRCSA-N 1 2 372.435 4.068 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739655 1104545415 /nfs/dbraw/zinc/54/54/15/1104545415.db2.gz LJPJVKGAOCBNJZ-UONOGXRCSA-N 1 2 372.435 4.068 20 30 FIEDLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CCC2 ZINC000328933629 1104594583 /nfs/dbraw/zinc/59/45/83/1104594583.db2.gz PTSKRJWMILZXMQ-ICSRJNTNSA-N 1 2 366.509 4.324 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943709 1104595273 /nfs/dbraw/zinc/59/52/73/1104595273.db2.gz AKNWLIWTONRICA-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943709 1104595281 /nfs/dbraw/zinc/59/52/81/1104595281.db2.gz AKNWLIWTONRICA-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000473977314 1104671351 /nfs/dbraw/zinc/67/13/51/1104671351.db2.gz VQSABZALKOUREI-RTWAWAEBSA-N 1 2 371.444 4.114 20 30 FIEDLO C=CC[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000427926531 1105321973 /nfs/dbraw/zinc/32/19/73/1105321973.db2.gz WTWNGAOERAIBQO-OAQYLSRUSA-N 1 2 351.494 4.262 20 30 FIEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665625457 1106876211 /nfs/dbraw/zinc/87/62/11/1106876211.db2.gz DESVHXNWADLHDT-IAGOWNOFSA-N 1 2 359.514 4.162 20 30 FIEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000261412505 1107790808 /nfs/dbraw/zinc/79/08/08/1107790808.db2.gz FUYPOPJWEKDZGL-HXUWFJFHSA-N 1 2 358.445 4.164 20 30 FIEDLO FC(F)(F)CO[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531416031 1107854862 /nfs/dbraw/zinc/85/48/62/1107854862.db2.gz FGJKMZCRASFAOM-OAHLLOKOSA-N 1 2 365.317 4.100 20 30 FIEDLO FC(F)(F)CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531416031 1107854875 /nfs/dbraw/zinc/85/48/75/1107854875.db2.gz FGJKMZCRASFAOM-OAHLLOKOSA-N 1 2 365.317 4.100 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(Br)c1F ZINC000453049454 1108108800 /nfs/dbraw/zinc/10/88/00/1108108800.db2.gz QXRGEKAQGLTTHZ-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000022892769 1109717266 /nfs/dbraw/zinc/71/72/66/1109717266.db2.gz UVYWCEYOILFVAB-UHFFFAOYSA-N 1 2 370.456 4.061 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)c(C#N)c3)n2)CC1 ZINC000538689392 1111254310 /nfs/dbraw/zinc/25/43/10/1111254310.db2.gz VIGKEUNMYVMEGB-UHFFFAOYSA-N 1 2 374.897 4.152 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000538762819 1111290657 /nfs/dbraw/zinc/29/06/57/1111290657.db2.gz LPZQDXNJLYSVAR-JTQLQIEISA-N 1 2 372.104 4.336 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000538762819 1111290658 /nfs/dbraw/zinc/29/06/58/1111290658.db2.gz LPZQDXNJLYSVAR-JTQLQIEISA-N 1 2 372.104 4.336 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000477979448 1111625453 /nfs/dbraw/zinc/62/54/53/1111625453.db2.gz BLXXWJNUIPGPKZ-UHFFFAOYSA-N 1 2 369.384 4.164 20 30 FIEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc(OC)c1OCc1ccccc1 ZINC000552317005 1111675073 /nfs/dbraw/zinc/67/50/73/1111675073.db2.gz YCNCOKLTZPFBBZ-UHFFFAOYSA-N 1 2 368.477 4.264 20 30 FIEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(OC)c1OCc1ccccc1 ZINC000552317005 1111675074 /nfs/dbraw/zinc/67/50/74/1111675074.db2.gz YCNCOKLTZPFBBZ-UHFFFAOYSA-N 1 2 368.477 4.264 20 30 FIEDLO CC[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000479475537 1112037442 /nfs/dbraw/zinc/03/74/42/1112037442.db2.gz NDCZKQCLDVIEGW-GQIGUUNPSA-N 1 2 350.466 4.130 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(Br)cc2C#N)C2CC2)cc1 ZINC000553863952 1112114639 /nfs/dbraw/zinc/11/46/39/1112114639.db2.gz JJSYCUCERBULDU-UHFFFAOYSA-N 1 2 366.262 4.357 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ccc(Br)cc2C#N)C2CC2)cc1 ZINC000553863952 1112114642 /nfs/dbraw/zinc/11/46/42/1112114642.db2.gz JJSYCUCERBULDU-UHFFFAOYSA-N 1 2 366.262 4.357 20 30 FIEDLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)ccc1C#N ZINC000554274877 1112284830 /nfs/dbraw/zinc/28/48/30/1112284830.db2.gz CEXYNYQEWKOIDC-HNNXBMFYSA-N 1 2 364.371 4.082 20 30 FIEDLO Cc1cc(C[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)ccc1C#N ZINC000554274877 1112284831 /nfs/dbraw/zinc/28/48/31/1112284831.db2.gz CEXYNYQEWKOIDC-HNNXBMFYSA-N 1 2 364.371 4.082 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622043 1112513305 /nfs/dbraw/zinc/51/33/05/1112513305.db2.gz VMSGQQRMHIZAHV-QZTJIDSGSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622043 1112513308 /nfs/dbraw/zinc/51/33/08/1112513308.db2.gz VMSGQQRMHIZAHV-QZTJIDSGSA-N 1 2 364.892 4.477 20 30 FIEDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000480683848 1112551320 /nfs/dbraw/zinc/55/13/20/1112551320.db2.gz SDJKVJNMBNPRHJ-RBZFPXEDSA-N 1 2 352.388 4.010 20 30 FIEDLO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000482931104 1113402129 /nfs/dbraw/zinc/40/21/29/1113402129.db2.gz WDRLKFKIOZZCPM-UHFFFAOYSA-N 1 2 354.881 4.090 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)cc1F ZINC000488313167 1113906477 /nfs/dbraw/zinc/90/64/77/1113906477.db2.gz WLZKZSHPAIGOJL-AWEZNQCLSA-N 1 2 350.397 4.215 20 30 FIEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000175182166 1113998677 /nfs/dbraw/zinc/99/86/77/1113998677.db2.gz WEXIXMQAZUUQMY-HNNXBMFYSA-N 1 2 353.466 4.448 20 30 FIEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)ccc1OC(F)F ZINC000151390020 1114357160 /nfs/dbraw/zinc/35/71/60/1114357160.db2.gz VBLISDVWGZLGBE-AATRIKPKSA-N 1 2 358.344 4.149 20 30 FIEDLO C=CC1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000570922577 1114420517 /nfs/dbraw/zinc/42/05/17/1114420517.db2.gz JUEXQKXZTULUFQ-UHFFFAOYSA-N 1 2 350.466 4.316 20 30 FIEDLO Cc1nsc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c1C#N ZINC000588816948 1114643622 /nfs/dbraw/zinc/64/36/22/1114643622.db2.gz SKHPBBLWRIEYCL-UHFFFAOYSA-N 1 2 355.492 4.155 20 30 FIEDLO Cc1nsc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1C#N ZINC000588816948 1114643626 /nfs/dbraw/zinc/64/36/26/1114643626.db2.gz SKHPBBLWRIEYCL-UHFFFAOYSA-N 1 2 355.492 4.155 20 30 FIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151057 1115206072 /nfs/dbraw/zinc/20/60/72/1115206072.db2.gz JVQJLODOOSIOAU-DIFFPNOSSA-N 1 2 366.248 4.060 20 30 FIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151057 1115206073 /nfs/dbraw/zinc/20/60/73/1115206073.db2.gz JVQJLODOOSIOAU-DIFFPNOSSA-N 1 2 366.248 4.060 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000592981558 1115273340 /nfs/dbraw/zinc/27/33/40/1115273340.db2.gz DPDJHIWSNBLDIM-UHFFFAOYSA-N 1 2 358.532 4.413 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000592981558 1115273341 /nfs/dbraw/zinc/27/33/41/1115273341.db2.gz DPDJHIWSNBLDIM-UHFFFAOYSA-N 1 2 358.532 4.413 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000078532148 1115448500 /nfs/dbraw/zinc/44/85/00/1115448500.db2.gz BDUJNMJLWHKLNB-SFHVURJKSA-N 1 2 357.816 4.126 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000078532148 1115448504 /nfs/dbraw/zinc/44/85/04/1115448504.db2.gz BDUJNMJLWHKLNB-SFHVURJKSA-N 1 2 357.816 4.126 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000594929893 1115491390 /nfs/dbraw/zinc/49/13/90/1115491390.db2.gz PKRUPWXNBUGUDV-AWEZNQCLSA-N 1 2 362.408 4.282 20 30 FIEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C4(C#N)CC4)cc3)n2)c1 ZINC000594929980 1115491425 /nfs/dbraw/zinc/49/14/25/1115491425.db2.gz QYOSOLZAMJTNMP-HNNXBMFYSA-N 1 2 374.444 4.151 20 30 FIEDLO N#C[C@@H](C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cnc2ccccc2n1 ZINC000575109945 1115546390 /nfs/dbraw/zinc/54/63/90/1115546390.db2.gz FWJFTIDXBKAUQB-LJQANCHMSA-N 1 2 370.456 4.106 20 30 FIEDLO N#CC(=C(O)c1cccc(C[NH+]2CCCCC2)c1)c1cnc2ccccc2n1 ZINC000575109945 1115546396 /nfs/dbraw/zinc/54/63/96/1115546396.db2.gz FWJFTIDXBKAUQB-LJQANCHMSA-N 1 2 370.456 4.106 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000595623469 1115551814 /nfs/dbraw/zinc/55/18/14/1115551814.db2.gz QPXMYSBJQFTPRO-GOSISDBHSA-N 1 2 359.473 4.076 20 30 FIEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000595623469 1115551816 /nfs/dbraw/zinc/55/18/16/1115551816.db2.gz QPXMYSBJQFTPRO-GOSISDBHSA-N 1 2 359.473 4.076 20 30 FIEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000595631232 1115552243 /nfs/dbraw/zinc/55/22/43/1115552243.db2.gz CBTISUXQQHWREU-UHFFFAOYSA-N 1 2 366.515 4.065 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611938 1115553397 /nfs/dbraw/zinc/55/33/97/1115553397.db2.gz PPTNHMXQPHKWFW-VXGBXAGGSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611938 1115553400 /nfs/dbraw/zinc/55/34/00/1115553400.db2.gz PPTNHMXQPHKWFW-VXGBXAGGSA-N 1 2 373.806 4.311 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612009 1115553616 /nfs/dbraw/zinc/55/36/16/1115553616.db2.gz RIZUTEFNVUKFNG-JXFKEZNVSA-N 1 2 351.425 4.131 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612009 1115553619 /nfs/dbraw/zinc/55/36/19/1115553619.db2.gz RIZUTEFNVUKFNG-JXFKEZNVSA-N 1 2 351.425 4.131 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595615769 1115554326 /nfs/dbraw/zinc/55/43/26/1115554326.db2.gz NSONNCYTPKHHCO-CVEARBPZSA-N 1 2 368.506 4.071 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595615769 1115554328 /nfs/dbraw/zinc/55/43/28/1115554328.db2.gz NSONNCYTPKHHCO-CVEARBPZSA-N 1 2 368.506 4.071 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC3(C#N)CCCCC3)n2)C1 ZINC000596893788 1115623089 /nfs/dbraw/zinc/62/30/89/1115623089.db2.gz HRQLTMWAGFFHFP-OAHLLOKOSA-N 1 2 360.527 4.178 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3(C#N)CCCCC3)n2)C1 ZINC000596893788 1115623090 /nfs/dbraw/zinc/62/30/90/1115623090.db2.gz HRQLTMWAGFFHFP-OAHLLOKOSA-N 1 2 360.527 4.178 20 30 FIEDLO C[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602805710 1115725598 /nfs/dbraw/zinc/72/55/98/1115725598.db2.gz ORUXEZJEXANKOT-OAHLLOKOSA-N 1 2 358.445 4.412 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599514899 1115821377 /nfs/dbraw/zinc/82/13/77/1115821377.db2.gz IXSMJDGFBJODCU-RHSMWYFYSA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599514899 1115821378 /nfs/dbraw/zinc/82/13/78/1115821378.db2.gz IXSMJDGFBJODCU-RHSMWYFYSA-N 1 2 369.415 4.043 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300680 1116040530 /nfs/dbraw/zinc/04/05/30/1116040530.db2.gz AYCPDEBWWSTNSJ-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300680 1116040533 /nfs/dbraw/zinc/04/05/33/1116040533.db2.gz AYCPDEBWWSTNSJ-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608728359 1116126362 /nfs/dbraw/zinc/12/63/62/1116126362.db2.gz JHOXSMHXBSECGT-LJQANCHMSA-N 1 2 354.498 4.092 20 30 FIEDLO N#Cc1c(F)cccc1Nc1ccc(N2CCc3sccc3C2)[nH+]c1 ZINC000608778887 1116128223 /nfs/dbraw/zinc/12/82/23/1116128223.db2.gz KSIZKOWKRICRPT-UHFFFAOYSA-N 1 2 350.422 4.460 20 30 FIEDLO C=CCOc1ccc(-c2nnc(SCc3cc(OC)cc(C)[nH+]3)o2)cc1 ZINC000535234050 1116284326 /nfs/dbraw/zinc/28/43/26/1116284326.db2.gz PEXQYRXWBFAFKG-UHFFFAOYSA-N 1 2 369.446 4.306 20 30 FIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000462275558 1116336394 /nfs/dbraw/zinc/33/63/94/1116336394.db2.gz VXYXHEJGVWILSJ-ZDUSSCGKSA-N 1 2 374.897 4.184 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)cc1 ZINC000463087894 1117961267 /nfs/dbraw/zinc/96/12/67/1117961267.db2.gz RMTUNJAQPXAPOM-UHFFFAOYSA-N 1 2 361.367 4.015 20 30 FIEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541318443 1118475009 /nfs/dbraw/zinc/47/50/09/1118475009.db2.gz LKEDPLYUCUKLCS-UGSOOPFHSA-N 1 2 363.288 4.363 20 30 FIEDLO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000464548262 1118596921 /nfs/dbraw/zinc/59/69/21/1118596921.db2.gz LTKCXYORYIPLAS-HNNXBMFYSA-N 1 2 355.507 4.242 20 30 FIEDLO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000464548262 1118596925 /nfs/dbraw/zinc/59/69/25/1118596925.db2.gz LTKCXYORYIPLAS-HNNXBMFYSA-N 1 2 355.507 4.242 20 30 FIEDLO N#CCSCCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596357 1118613808 /nfs/dbraw/zinc/61/38/08/1118613808.db2.gz XPHKVZYTPNCAGL-UHFFFAOYSA-N 1 2 359.720 4.107 20 30 FIEDLO N#CCSCCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596357 1118613812 /nfs/dbraw/zinc/61/38/12/1118613812.db2.gz XPHKVZYTPNCAGL-UHFFFAOYSA-N 1 2 359.720 4.107 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000491327367 1118665168 /nfs/dbraw/zinc/66/51/68/1118665168.db2.gz BDBWWJYDTZNRBZ-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000491327367 1118665171 /nfs/dbraw/zinc/66/51/71/1118665171.db2.gz BDBWWJYDTZNRBZ-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO N#CC1(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCCCC1 ZINC000464736446 1118669382 /nfs/dbraw/zinc/66/93/82/1118669382.db2.gz MKFXEEHINCDHQP-QFIPXVFZSA-N 1 2 373.500 4.129 20 30 FIEDLO N#CC1(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CCCCC1 ZINC000464736446 1118669384 /nfs/dbraw/zinc/66/93/84/1118669384.db2.gz MKFXEEHINCDHQP-QFIPXVFZSA-N 1 2 373.500 4.129 20 30 FIEDLO Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000271719605 1118757348 /nfs/dbraw/zinc/75/73/48/1118757348.db2.gz XNBOEZNFNJAANU-NWDGAFQWSA-N 1 2 351.479 4.174 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000492107914 1119026303 /nfs/dbraw/zinc/02/63/03/1119026303.db2.gz PQFCESKORYRTDR-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000492107914 1119026307 /nfs/dbraw/zinc/02/63/07/1119026307.db2.gz PQFCESKORYRTDR-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000184973579 1119632781 /nfs/dbraw/zinc/63/27/81/1119632781.db2.gz JEENUCIZHBXBOM-SFHVURJKSA-N 1 2 369.534 4.309 20 30 FIEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000761765057 1120362094 /nfs/dbraw/zinc/36/20/94/1120362094.db2.gz HYJRJHDZZFEHAE-QFIPXVFZSA-N 1 2 362.473 4.260 20 30 FIEDLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000761765057 1120362100 /nfs/dbraw/zinc/36/21/00/1120362100.db2.gz HYJRJHDZZFEHAE-QFIPXVFZSA-N 1 2 362.473 4.260 20 30 FIEDLO N#C[C@H](C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041401 1121096757 /nfs/dbraw/zinc/09/67/57/1121096757.db2.gz MUVJQRBVZGRXND-SIKLNZKXSA-N 1 2 355.441 4.076 20 30 FIEDLO N#C[C@H](C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041401 1121096762 /nfs/dbraw/zinc/09/67/62/1121096762.db2.gz MUVJQRBVZGRXND-SIKLNZKXSA-N 1 2 355.441 4.076 20 30 FIEDLO N#Cc1ccc(-c2ccccc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212366132 1121356743 /nfs/dbraw/zinc/35/67/43/1121356743.db2.gz CCWODXUGYNYKNS-UHFFFAOYSA-N 1 2 356.429 4.200 20 30 FIEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917075623 1122071620 /nfs/dbraw/zinc/07/16/20/1122071620.db2.gz KRVLAUDBBCOBKT-QGZVFWFLSA-N 1 2 363.486 4.383 20 30 FIEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917075623 1122071627 /nfs/dbraw/zinc/07/16/27/1122071627.db2.gz KRVLAUDBBCOBKT-QGZVFWFLSA-N 1 2 363.486 4.383 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(OC)cc1 ZINC000917409262 1122298973 /nfs/dbraw/zinc/29/89/73/1122298973.db2.gz XVVHEWZQPDCOOH-UHFFFAOYSA-N 1 2 360.457 4.475 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(OC)cc1 ZINC000917409262 1122298981 /nfs/dbraw/zinc/29/89/81/1122298981.db2.gz XVVHEWZQPDCOOH-UHFFFAOYSA-N 1 2 360.457 4.475 20 30 FIEDLO Cc1ccc([C@H](C/N=C/c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000917557204 1122361682 /nfs/dbraw/zinc/36/16/82/1122361682.db2.gz ARBAIOBCIHEGPV-AJPHYDNBSA-N 1 2 374.484 4.346 20 30 FIEDLO CC1CC[NH+]([C@@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)c2ccccc2)CC1 ZINC000918712192 1122758245 /nfs/dbraw/zinc/75/82/45/1122758245.db2.gz GIXFAZZEHHIXAF-ALFKQNEGSA-N 1 2 367.449 4.193 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000131034048 1122965968 /nfs/dbraw/zinc/96/59/68/1122965968.db2.gz KMOUISRRNRMODR-QUCCMNQESA-N 1 2 366.509 4.092 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000194965511 1123057469 /nfs/dbraw/zinc/05/74/69/1123057469.db2.gz JCEMYNRAVGGMKI-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000194965511 1123057473 /nfs/dbraw/zinc/05/74/73/1123057473.db2.gz JCEMYNRAVGGMKI-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO C=C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000131653021 1123148879 /nfs/dbraw/zinc/14/88/79/1123148879.db2.gz VLILDHLONQLSID-FQEVSTJZSA-N 1 2 363.505 4.438 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000557029215 1123323805 /nfs/dbraw/zinc/32/38/05/1123323805.db2.gz YNNBDDZROCGJCH-INIZCTEOSA-N 1 2 372.900 4.280 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000557029215 1123323807 /nfs/dbraw/zinc/32/38/07/1123323807.db2.gz YNNBDDZROCGJCH-INIZCTEOSA-N 1 2 372.900 4.280 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)cc1F ZINC000542618218 1123461850 /nfs/dbraw/zinc/46/18/50/1123461850.db2.gz JSOIXQWEFNPYPQ-CQSZACIVSA-N 1 2 350.397 4.101 20 30 FIEDLO C=CCCOCC(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000920817313 1123523904 /nfs/dbraw/zinc/52/39/04/1123523904.db2.gz FCVQGCYTKHSXCM-INIZCTEOSA-N 1 2 369.248 4.067 20 30 FIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)c(C#N)c3)n2)cc1 ZINC000542621572 1123634542 /nfs/dbraw/zinc/63/45/42/1123634542.db2.gz QFVZCQSZHLBJER-ZDUSSCGKSA-N 1 2 350.397 4.161 20 30 FIEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706041 1123803339 /nfs/dbraw/zinc/80/33/39/1123803339.db2.gz NOQSLBUWESMZBG-CJNGLKHVSA-N 1 2 369.490 4.174 20 30 FIEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706041 1123803345 /nfs/dbraw/zinc/80/33/45/1123803345.db2.gz NOQSLBUWESMZBG-CJNGLKHVSA-N 1 2 369.490 4.174 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN(c2cccc[nH+]2)CC1 ZINC000301332875 1124217719 /nfs/dbraw/zinc/21/77/19/1124217719.db2.gz BUIDJVIWGQAPLV-UHFFFAOYSA-N 1 2 361.424 4.030 20 30 FIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2CCNc3ccccc32)[nH+]1 ZINC001168645215 1124266255 /nfs/dbraw/zinc/26/62/55/1124266255.db2.gz KQBIJAFOQMIAKP-RKRFWIBRSA-N 1 2 370.522 4.240 20 30 FIEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccoc1 ZINC000108363665 1124299360 /nfs/dbraw/zinc/29/93/60/1124299360.db2.gz VUAYFWIHVKCJOS-HNNXBMFYSA-N 1 2 357.479 4.134 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccoc1 ZINC000108363665 1124299364 /nfs/dbraw/zinc/29/93/64/1124299364.db2.gz VUAYFWIHVKCJOS-HNNXBMFYSA-N 1 2 357.479 4.134 20 30 FIEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000616749099 1124366436 /nfs/dbraw/zinc/36/64/36/1124366436.db2.gz MPZGJTBNMJRUBD-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000616749099 1124366438 /nfs/dbraw/zinc/36/64/38/1124366438.db2.gz MPZGJTBNMJRUBD-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2CCCc3cccnc32)[nH+]1 ZINC001168655804 1124439355 /nfs/dbraw/zinc/43/93/55/1124439355.db2.gz QRVXYXPVRUTLCX-BFRCBOIPSA-N 1 2 370.522 4.156 20 30 FIEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615665 1124723330 /nfs/dbraw/zinc/72/33/30/1124723330.db2.gz DDXUHQGHUAMLJM-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615665 1124723339 /nfs/dbraw/zinc/72/33/39/1124723339.db2.gz DDXUHQGHUAMLJM-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO CCC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000074981685 1124837830 /nfs/dbraw/zinc/83/78/30/1124837830.db2.gz HDBIEZRXQIKLBU-MRXNPFEDSA-N 1 2 356.470 4.087 20 30 FIEDLO CCC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000074981685 1124837833 /nfs/dbraw/zinc/83/78/33/1124837833.db2.gz HDBIEZRXQIKLBU-MRXNPFEDSA-N 1 2 356.470 4.087 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000542924042 1124864203 /nfs/dbraw/zinc/86/42/03/1124864203.db2.gz GFPDJUGKGYESDT-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000249871046 1124883450 /nfs/dbraw/zinc/88/34/50/1124883450.db2.gz GFAGZQQTXSOLHW-DZFGPLHGSA-N 1 2 370.443 4.186 20 30 FIEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000249871046 1124883463 /nfs/dbraw/zinc/88/34/63/1124883463.db2.gz GFAGZQQTXSOLHW-DZFGPLHGSA-N 1 2 370.443 4.186 20 30 FIEDLO CC(C)(C)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)no1 ZINC000568615552 568097113 /nfs/dbraw/zinc/09/71/13/568097113.db2.gz SWTHWZAYTMMSFI-UHFFFAOYSA-N 1 2 357.429 4.026 20 30 FIEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000603656331 568133931 /nfs/dbraw/zinc/13/39/31/568133931.db2.gz LXNXSBSNDADFBA-IBGZPJMESA-N 1 2 373.460 4.132 20 30 FIEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604276934 568239986 /nfs/dbraw/zinc/23/99/86/568239986.db2.gz YTCGFEBTVPWPJT-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000604276934 568239987 /nfs/dbraw/zinc/23/99/87/568239987.db2.gz YTCGFEBTVPWPJT-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1c2c(ccc1OC)CCC2 ZINC000330341288 568267274 /nfs/dbraw/zinc/26/72/74/568267274.db2.gz ZBGBMPIRNPDTRO-QGZVFWFLSA-N 1 2 368.481 4.173 20 30 FIEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068486 568270373 /nfs/dbraw/zinc/27/03/73/568270373.db2.gz OWCRQHAHHGPRDU-JLTOFOAXSA-N 1 2 369.415 4.025 20 30 FIEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068486 568270374 /nfs/dbraw/zinc/27/03/74/568270374.db2.gz OWCRQHAHHGPRDU-JLTOFOAXSA-N 1 2 369.415 4.025 20 30 FIEDLO N#Cc1c(Br)cccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000569538308 568406552 /nfs/dbraw/zinc/40/65/52/568406552.db2.gz ZBNNTIREEXWEDL-UHFFFAOYSA-N 1 2 353.223 4.323 20 30 FIEDLO CCC[N@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000543058762 1125570240 /nfs/dbraw/zinc/57/02/40/1125570240.db2.gz ZBEOIOLMHKAVKE-UHFFFAOYSA-N 1 2 350.285 4.189 20 30 FIEDLO CCC[N@@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000543058762 1125570243 /nfs/dbraw/zinc/57/02/43/1125570243.db2.gz ZBEOIOLMHKAVKE-UHFFFAOYSA-N 1 2 350.285 4.189 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000619451805 1125597741 /nfs/dbraw/zinc/59/77/41/1125597741.db2.gz QXBMPFBFVARYOX-UHFFFAOYSA-N 1 2 355.401 4.116 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ncc(Br)s1 ZINC000619755633 1125680979 /nfs/dbraw/zinc/68/09/79/1125680979.db2.gz ODAARHAXTTVDDA-MRVPVSSYSA-N 1 2 356.676 4.281 20 30 FIEDLO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nnn1-c1ccc(F)cc1 ZINC000619755624 1125681083 /nfs/dbraw/zinc/68/10/83/1125681083.db2.gz NOPDWHLIWZPZKP-LBPRGKRZSA-N 1 2 369.831 4.091 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000152955469 1125701844 /nfs/dbraw/zinc/70/18/44/1125701844.db2.gz ISDXVOWZPRXRLA-UHFFFAOYSA-N 1 2 369.465 4.044 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000152955469 1125701851 /nfs/dbraw/zinc/70/18/51/1125701851.db2.gz ISDXVOWZPRXRLA-UHFFFAOYSA-N 1 2 369.465 4.044 20 30 FIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430235793 1080057309 /nfs/dbraw/zinc/05/73/09/1080057309.db2.gz ZUHSAHDJLLWXKL-UHFFFAOYSA-N 1 2 352.482 4.304 20 30 FIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430235793 1080057316 /nfs/dbraw/zinc/05/73/16/1080057316.db2.gz ZUHSAHDJLLWXKL-UHFFFAOYSA-N 1 2 352.482 4.304 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1C#N ZINC000430769285 1083162818 /nfs/dbraw/zinc/16/28/18/1083162818.db2.gz TVTGAHSAXCNLIA-KRWDZBQOSA-N 1 2 362.246 4.135 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1C#N ZINC000430769285 1083162821 /nfs/dbraw/zinc/16/28/21/1083162821.db2.gz TVTGAHSAXCNLIA-KRWDZBQOSA-N 1 2 362.246 4.135 20 30 FIEDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000179665805 1083592026 /nfs/dbraw/zinc/59/20/26/1083592026.db2.gz FGJJMRJVFREBMM-OAHLLOKOSA-N 1 2 362.433 4.246 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405709 1083779363 /nfs/dbraw/zinc/77/93/63/1083779363.db2.gz CICXFBGWNKAKKL-HXUWFJFHSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405709 1083779371 /nfs/dbraw/zinc/77/93/71/1083779371.db2.gz CICXFBGWNKAKKL-HXUWFJFHSA-N 1 2 356.901 4.327 20 30 FIEDLO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccnc(C#N)c1 ZINC000610995012 1083948049 /nfs/dbraw/zinc/94/80/49/1083948049.db2.gz UIMFSXZQJHBTLZ-UHFFFAOYSA-N 1 2 367.840 4.069 20 30 FIEDLO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccnc(C#N)c1 ZINC000610995012 1083948052 /nfs/dbraw/zinc/94/80/52/1083948052.db2.gz UIMFSXZQJHBTLZ-UHFFFAOYSA-N 1 2 367.840 4.069 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1F ZINC000582509729 1084707434 /nfs/dbraw/zinc/70/74/34/1084707434.db2.gz MMOLYWYHMMHBFI-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000564238910 1084722956 /nfs/dbraw/zinc/72/29/56/1084722956.db2.gz TUJSGTJWLHBLRL-HZPDHXFCSA-N 1 2 351.313 4.181 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000564238910 1084722966 /nfs/dbraw/zinc/72/29/66/1084722966.db2.gz TUJSGTJWLHBLRL-HZPDHXFCSA-N 1 2 351.313 4.181 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC001167567756 1084918158 /nfs/dbraw/zinc/91/81/58/1084918158.db2.gz JXHJUSOLRCYUFJ-NRFANRHFSA-N 1 2 354.881 4.435 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC001167567756 1084918160 /nfs/dbraw/zinc/91/81/60/1084918160.db2.gz JXHJUSOLRCYUFJ-NRFANRHFSA-N 1 2 354.881 4.435 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC12CCCCC2 ZINC000329065815 1085084582 /nfs/dbraw/zinc/08/45/82/1085084582.db2.gz WIYPPTIASQAXAU-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC12CCCCC2 ZINC000329065815 1085084589 /nfs/dbraw/zinc/08/45/89/1085084589.db2.gz WIYPPTIASQAXAU-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO N#CC[C@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000582691152 1085383193 /nfs/dbraw/zinc/38/31/93/1085383193.db2.gz QBEJDTGFEWUAHJ-LJQANCHMSA-N 1 2 369.428 4.221 20 30 FIEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135216222 1085467058 /nfs/dbraw/zinc/46/70/58/1085467058.db2.gz DVZVSPJHNOQKBK-NVXWUHKLSA-N 1 2 362.901 4.069 20 30 FIEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000135216222 1085467064 /nfs/dbraw/zinc/46/70/64/1085467064.db2.gz DVZVSPJHNOQKBK-NVXWUHKLSA-N 1 2 362.901 4.069 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@@H](C)COC ZINC000661241855 1085476920 /nfs/dbraw/zinc/47/69/20/1085476920.db2.gz CVDUHPCMCPTPFE-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@@H](C)COC ZINC000661241855 1085476924 /nfs/dbraw/zinc/47/69/24/1085476924.db2.gz CVDUHPCMCPTPFE-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO COc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1OCCCC#N ZINC000093838381 1086205947 /nfs/dbraw/zinc/20/59/47/1086205947.db2.gz WCWPLDBQGTZEOI-UHFFFAOYSA-N 1 2 372.415 4.214 20 30 FIEDLO COc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1OCCCC#N ZINC000093838381 1086205955 /nfs/dbraw/zinc/20/59/55/1086205955.db2.gz WCWPLDBQGTZEOI-UHFFFAOYSA-N 1 2 372.415 4.214 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccccc3Cl)o1)C2 ZINC000599685315 1086229185 /nfs/dbraw/zinc/22/91/85/1086229185.db2.gz DPEIJZAZPCFBKM-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc(-c3ccccc3Cl)o1)C2 ZINC000599685315 1086229204 /nfs/dbraw/zinc/22/92/04/1086229204.db2.gz DPEIJZAZPCFBKM-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2cccs2)n1 ZINC000583169898 1086346170 /nfs/dbraw/zinc/34/61/70/1086346170.db2.gz FCRKKBODTLJPKL-UHFFFAOYSA-N 1 2 369.515 4.392 20 30 FIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2cccs2)n1 ZINC000583169898 1086346180 /nfs/dbraw/zinc/34/61/80/1086346180.db2.gz FCRKKBODTLJPKL-UHFFFAOYSA-N 1 2 369.515 4.392 20 30 FIEDLO C=C(C)C(=O)NCCCNc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001167670959 1086923467 /nfs/dbraw/zinc/92/34/67/1086923467.db2.gz NGYONJKIKFWTAS-UHFFFAOYSA-N 1 2 368.868 4.149 20 30 FIEDLO N#CC1CC[NH+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000130245534 1086954282 /nfs/dbraw/zinc/95/42/82/1086954282.db2.gz LVOHXQLGQWTFJM-UHFFFAOYSA-N 1 2 362.296 4.308 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638703 1087004423 /nfs/dbraw/zinc/00/44/23/1087004423.db2.gz MLOUGBCMKRHHNG-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638703 1087004428 /nfs/dbraw/zinc/00/44/28/1087004428.db2.gz MLOUGBCMKRHHNG-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803401 1087168544 /nfs/dbraw/zinc/16/85/44/1087168544.db2.gz XVGYHHWCUWYXHI-INIZCTEOSA-N 1 2 357.504 4.139 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803401 1087168548 /nfs/dbraw/zinc/16/85/48/1087168548.db2.gz XVGYHHWCUWYXHI-INIZCTEOSA-N 1 2 357.504 4.139 20 30 FIEDLO COc1cc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)ccc1C#N ZINC000584380645 1087311276 /nfs/dbraw/zinc/31/12/76/1087311276.db2.gz MOSHWMISIFGCKE-OAQYLSRUSA-N 1 2 365.383 4.119 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179169880 1087548477 /nfs/dbraw/zinc/54/84/77/1087548477.db2.gz YUDIBRZVMDQKDY-UHFFFAOYSA-N 1 2 374.400 4.286 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000179169880 1087548479 /nfs/dbraw/zinc/54/84/79/1087548479.db2.gz YUDIBRZVMDQKDY-UHFFFAOYSA-N 1 2 374.400 4.286 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1cccc(F)c1 ZINC000472337474 1087599561 /nfs/dbraw/zinc/59/95/61/1087599561.db2.gz PQZIJRJKZZLWSB-RNODOKPDSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1cccc(F)c1 ZINC000472337474 1087599564 /nfs/dbraw/zinc/59/95/64/1087599564.db2.gz PQZIJRJKZZLWSB-RNODOKPDSA-N 1 2 371.843 4.372 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000177209012 1088245920 /nfs/dbraw/zinc/24/59/20/1088245920.db2.gz BOKVEPNFJDLJPD-FPOVZHCZSA-N 1 2 367.518 4.098 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000177209012 1088245933 /nfs/dbraw/zinc/24/59/33/1088245933.db2.gz BOKVEPNFJDLJPD-FPOVZHCZSA-N 1 2 367.518 4.098 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000177364016 1088291783 /nfs/dbraw/zinc/29/17/83/1088291783.db2.gz IEMVMORQDFPHHP-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000177364016 1088291799 /nfs/dbraw/zinc/29/17/99/1088291799.db2.gz IEMVMORQDFPHHP-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947905 1088721145 /nfs/dbraw/zinc/72/11/45/1088721145.db2.gz FVLMZZXOOMDKCQ-UHFFFAOYSA-N 1 2 372.266 4.087 20 30 FIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149047 1088955190 /nfs/dbraw/zinc/95/51/90/1088955190.db2.gz VHHKCXLIDLRDFU-OAQYLSRUSA-N 1 2 372.472 4.242 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000664444252 1089007911 /nfs/dbraw/zinc/00/79/11/1089007911.db2.gz JIXPRGGYUCMLLB-XYPHTWIQSA-N 1 2 360.527 4.090 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000664444252 1089007933 /nfs/dbraw/zinc/00/79/33/1089007933.db2.gz JIXPRGGYUCMLLB-XYPHTWIQSA-N 1 2 360.527 4.090 20 30 FIEDLO CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000425192542 1089045596 /nfs/dbraw/zinc/04/55/96/1089045596.db2.gz ZQGBTKOPUKLLTM-UTKZUKDTSA-N 1 2 372.472 4.413 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OCc1ccncc1 ZINC000434989212 1089189103 /nfs/dbraw/zinc/18/91/03/1089189103.db2.gz AWDBPIHFFKKXJM-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OCc1ccncc1 ZINC000434989212 1089189110 /nfs/dbraw/zinc/18/91/10/1089189110.db2.gz AWDBPIHFFKKXJM-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO C=CCC(CC=C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435325307 1089519403 /nfs/dbraw/zinc/51/94/03/1089519403.db2.gz FGQAVJURVQSVNE-UHFFFAOYSA-N 1 2 357.885 4.334 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)[nH+]c12 ZINC000066801629 1090227457 /nfs/dbraw/zinc/22/74/57/1090227457.db2.gz LJRFOUOWAWADSY-OAHLLOKOSA-N 1 2 364.474 4.218 20 30 FIEDLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872644 1091768086 /nfs/dbraw/zinc/76/80/86/1091768086.db2.gz YHHYQEROJFNVSB-HNNXBMFYSA-N 1 2 360.413 4.456 20 30 FIEDLO C#CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)[C@@H]1CCc2ccccc21 ZINC000107682525 1091797937 /nfs/dbraw/zinc/79/79/37/1091797937.db2.gz HERSGDHALNMLJQ-JOCHJYFZSA-N 1 2 360.501 4.373 20 30 FIEDLO C#CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)[C@@H]1CCc2ccccc21 ZINC000107682525 1091797941 /nfs/dbraw/zinc/79/79/41/1091797941.db2.gz HERSGDHALNMLJQ-JOCHJYFZSA-N 1 2 360.501 4.373 20 30 FIEDLO C=CC[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279565835 1091930081 /nfs/dbraw/zinc/93/00/81/1091930081.db2.gz QPJXFSYUHYPNLZ-OAQYLSRUSA-N 1 2 363.505 4.285 20 30 FIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc(CC#N)cc2)c(C)c1 ZINC000442187984 1092467759 /nfs/dbraw/zinc/46/77/59/1092467759.db2.gz INWGPCBKGXUJSL-OAQYLSRUSA-N 1 2 373.460 4.129 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000512506146 1092597487 /nfs/dbraw/zinc/59/74/87/1092597487.db2.gz HQQYCFLXYRYRJU-GOSISDBHSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000512506146 1092597497 /nfs/dbraw/zinc/59/74/97/1092597497.db2.gz HQQYCFLXYRYRJU-GOSISDBHSA-N 1 2 360.546 4.022 20 30 FIEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000549739481 1092736471 /nfs/dbraw/zinc/73/64/71/1092736471.db2.gz BYMNDKUROBTSGX-DLBZAZTESA-N 1 2 369.509 4.364 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000512547218 1092901565 /nfs/dbraw/zinc/90/15/65/1092901565.db2.gz KOBWVLOIJZDUSS-OTWHNJEPSA-N 1 2 360.546 4.020 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000512547218 1092901566 /nfs/dbraw/zinc/90/15/66/1092901566.db2.gz KOBWVLOIJZDUSS-OTWHNJEPSA-N 1 2 360.546 4.020 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCCc1cccs1 ZINC000508806464 1092925156 /nfs/dbraw/zinc/92/51/56/1092925156.db2.gz PIMIHYKKRBAPCA-CYBMUJFWSA-N 1 2 368.955 4.198 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCCc1cccs1 ZINC000508806464 1092925161 /nfs/dbraw/zinc/92/51/61/1092925161.db2.gz PIMIHYKKRBAPCA-CYBMUJFWSA-N 1 2 368.955 4.198 20 30 FIEDLO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc(C#N)c1 ZINC000614178696 1093061935 /nfs/dbraw/zinc/06/19/35/1093061935.db2.gz AOBXFGWEVWGCNZ-NSHDSACASA-N 1 2 355.239 4.048 20 30 FIEDLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433010188 1093097445 /nfs/dbraw/zinc/09/74/45/1093097445.db2.gz BBBLIYHWUZRGED-FQEVSTJZSA-N 1 2 360.461 4.494 20 30 FIEDLO CC(C)(C)c1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000512801303 1093359628 /nfs/dbraw/zinc/35/96/28/1093359628.db2.gz LBSXUWRQOXWJFS-UHFFFAOYSA-N 1 2 373.497 4.495 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327965 1093588781 /nfs/dbraw/zinc/58/87/81/1093588781.db2.gz USEPQLWWDXAOHP-CJNGLKHVSA-N 1 2 371.868 4.238 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327965 1093588786 /nfs/dbraw/zinc/58/87/86/1093588786.db2.gz USEPQLWWDXAOHP-CJNGLKHVSA-N 1 2 371.868 4.238 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2ccccc2OC(F)(F)F)c(F)c1F ZINC000430025803 1094192625 /nfs/dbraw/zinc/19/26/25/1094192625.db2.gz APODCFDELQHNPY-UHFFFAOYSA-N 1 2 353.237 4.431 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329121720 1094747366 /nfs/dbraw/zinc/74/73/66/1094747366.db2.gz WHXLIHQSESHCEH-KZNAEPCWSA-N 1 2 357.498 4.421 20 30 FIEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247432 1094796383 /nfs/dbraw/zinc/79/63/83/1094796383.db2.gz WBYGBEJCENKGPP-CZUORRHYSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247432 1094796384 /nfs/dbraw/zinc/79/63/84/1094796384.db2.gz WBYGBEJCENKGPP-CZUORRHYSA-N 1 2 356.495 4.088 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329254795 1094798913 /nfs/dbraw/zinc/79/89/13/1094798913.db2.gz BELCRNQJQGYNGZ-LJQANCHMSA-N 1 2 368.456 4.209 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329280007 1094813205 /nfs/dbraw/zinc/81/32/05/1094813205.db2.gz LXCOJQHKZQKFRZ-LJQANCHMSA-N 1 2 368.456 4.278 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329280007 1094813223 /nfs/dbraw/zinc/81/32/23/1094813223.db2.gz LXCOJQHKZQKFRZ-LJQANCHMSA-N 1 2 368.456 4.278 20 30 FIEDLO CC1(C)Cc2nc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)sc2C(=O)C1 ZINC000329337442 1094848119 /nfs/dbraw/zinc/84/81/19/1094848119.db2.gz PUNUXHYDKCPUSE-AWEZNQCLSA-N 1 2 361.511 4.293 20 30 FIEDLO CC1(C)Cc2nc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)sc2C(=O)C1 ZINC000329337442 1094848136 /nfs/dbraw/zinc/84/81/36/1094848136.db2.gz PUNUXHYDKCPUSE-AWEZNQCLSA-N 1 2 361.511 4.293 20 30 FIEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC(=O)N1 ZINC000329591661 1094988304 /nfs/dbraw/zinc/98/83/04/1094988304.db2.gz NXAPMBGBVGNLIM-UOVPBQLFSA-N 1 2 373.497 4.029 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(Br)cc1F ZINC001141917658 1094995223 /nfs/dbraw/zinc/99/52/23/1094995223.db2.gz ZJZCHTQKUCZYFQ-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(Br)cc1F ZINC001141917658 1094995235 /nfs/dbraw/zinc/99/52/35/1094995235.db2.gz ZJZCHTQKUCZYFQ-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H](C2CC2)C1 ZINC000329628960 1095020190 /nfs/dbraw/zinc/02/01/90/1095020190.db2.gz QCUVFEBRORBFHO-KRWDZBQOSA-N 1 2 350.466 4.164 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329637464 1095035727 /nfs/dbraw/zinc/03/57/27/1095035727.db2.gz AGUJLOSBWDFLBL-FOIQADDNSA-N 1 2 352.482 4.217 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329637464 1095035742 /nfs/dbraw/zinc/03/57/42/1095035742.db2.gz AGUJLOSBWDFLBL-FOIQADDNSA-N 1 2 352.482 4.217 20 30 FIEDLO CSC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000329790816 1095266030 /nfs/dbraw/zinc/26/60/30/1095266030.db2.gz DBGPQUIPUFZABW-UHFFFAOYSA-N 1 2 370.522 4.498 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000329816432 1095276185 /nfs/dbraw/zinc/27/61/85/1095276185.db2.gz OEDVLNNUXRAWEN-CMKODMSKSA-N 1 2 366.509 4.083 20 30 FIEDLO CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCS1 ZINC000329836725 1095287252 /nfs/dbraw/zinc/28/72/52/1095287252.db2.gz VEXZAKLLXODOTG-SFHVURJKSA-N 1 2 370.522 4.259 20 30 FIEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000329896891 1095308108 /nfs/dbraw/zinc/30/81/08/1095308108.db2.gz CQOUISCUQUYIDN-KRWDZBQOSA-N 1 2 372.472 4.042 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330099200 1095380073 /nfs/dbraw/zinc/38/00/73/1095380073.db2.gz CSXVEWPWXPYHLP-NPPFBWRTSA-N 1 2 374.525 4.365 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330099200 1095380079 /nfs/dbraw/zinc/38/00/79/1095380079.db2.gz CSXVEWPWXPYHLP-NPPFBWRTSA-N 1 2 374.525 4.365 20 30 FIEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157698 1095398425 /nfs/dbraw/zinc/39/84/25/1095398425.db2.gz POGBRXFQOOUGIS-AQOAWAETSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157698 1095398443 /nfs/dbraw/zinc/39/84/43/1095398443.db2.gz POGBRXFQOOUGIS-AQOAWAETSA-N 1 2 368.477 4.086 20 30 FIEDLO O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330187772 1095410021 /nfs/dbraw/zinc/41/00/21/1095410021.db2.gz UBCDVGCWDRVIEO-RBUKOAKNSA-N 1 2 352.482 4.160 20 30 FIEDLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330220618 1095423620 /nfs/dbraw/zinc/42/36/20/1095423620.db2.gz KYVFHQYVPYBVGQ-LBPRGKRZSA-N 1 2 366.849 4.212 20 30 FIEDLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330220618 1095423630 /nfs/dbraw/zinc/42/36/30/1095423630.db2.gz KYVFHQYVPYBVGQ-LBPRGKRZSA-N 1 2 366.849 4.212 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000330229112 1095424697 /nfs/dbraw/zinc/42/46/97/1095424697.db2.gz CUJPLFANECMDQJ-CALCHBBNSA-N 1 2 350.466 4.164 20 30 FIEDLO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000504009714 1096626604 /nfs/dbraw/zinc/62/66/04/1096626604.db2.gz ZLLZQFOBMXUNEF-MRXNPFEDSA-N 1 2 373.422 4.456 20 30 FIEDLO CC(C)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccn1 ZINC000533241110 1098897759 /nfs/dbraw/zinc/89/77/59/1098897759.db2.gz DGFVEAOUNWXHPC-UHFFFAOYSA-N 1 2 360.461 4.043 20 30 FIEDLO CC(C)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccn1 ZINC000533241110 1098897779 /nfs/dbraw/zinc/89/77/79/1098897779.db2.gz DGFVEAOUNWXHPC-UHFFFAOYSA-N 1 2 360.461 4.043 20 30 FIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026331456 1098994046 /nfs/dbraw/zinc/99/40/46/1098994046.db2.gz UNMGBWRTDPUMRY-UHFFFAOYSA-N 1 2 373.456 4.224 20 30 FIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026331456 1098994050 /nfs/dbraw/zinc/99/40/50/1098994050.db2.gz UNMGBWRTDPUMRY-UHFFFAOYSA-N 1 2 373.456 4.224 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026328532 1099001855 /nfs/dbraw/zinc/00/18/55/1099001855.db2.gz DLRBHJFTCPWRGX-JOCHJYFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026328532 1099001866 /nfs/dbraw/zinc/00/18/66/1099001866.db2.gz DLRBHJFTCPWRGX-JOCHJYFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000459389469 1099386983 /nfs/dbraw/zinc/38/69/83/1099386983.db2.gz QKTRXXGRETXGIK-ZDUSSCGKSA-N 1 2 369.396 4.245 20 30 FIEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000506042142 1099880101 /nfs/dbraw/zinc/88/01/01/1099880101.db2.gz OWNREIJNPUZJQW-FQEVSTJZSA-N 1 2 363.461 4.001 20 30 FIEDLO CC1(C#N)CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000506047376 1099908868 /nfs/dbraw/zinc/90/88/68/1099908868.db2.gz KPWDAQKXTROXDG-LJQANCHMSA-N 1 2 351.425 4.131 20 30 FIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000516957896 1099956660 /nfs/dbraw/zinc/95/66/60/1099956660.db2.gz BCQFFPDMBGESTI-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCc1cccs1 ZINC000536665182 1100140845 /nfs/dbraw/zinc/14/08/45/1100140845.db2.gz WDWAMRWHFDXOIL-HNNXBMFYSA-N 1 2 356.491 4.460 20 30 FIEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCc1cccs1 ZINC000536665182 1100140848 /nfs/dbraw/zinc/14/08/48/1100140848.db2.gz WDWAMRWHFDXOIL-HNNXBMFYSA-N 1 2 356.491 4.460 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000459449780 1100185392 /nfs/dbraw/zinc/18/53/92/1100185392.db2.gz ZONFMUGSMFXBJI-HNNXBMFYSA-N 1 2 353.344 4.021 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000459449780 1100185401 /nfs/dbraw/zinc/18/54/01/1100185401.db2.gz ZONFMUGSMFXBJI-HNNXBMFYSA-N 1 2 353.344 4.021 20 30 FIEDLO CCOc1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1CC(C)C ZINC000506548852 1101340154 /nfs/dbraw/zinc/34/01/54/1101340154.db2.gz XLDHZWMQCVNEBM-UHFFFAOYSA-N 1 2 366.509 4.283 20 30 FIEDLO CCOc1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1CC(C)C ZINC000506548852 1101340168 /nfs/dbraw/zinc/34/01/68/1101340168.db2.gz XLDHZWMQCVNEBM-UHFFFAOYSA-N 1 2 366.509 4.283 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1 ZINC000439441739 1101440631 /nfs/dbraw/zinc/44/06/31/1101440631.db2.gz KMVWXPAKOBVKRD-UHFFFAOYSA-N 1 2 366.852 4.104 20 30 FIEDLO CCOc1ccc(/C=[NH+]/C[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000760227423 1101878046 /nfs/dbraw/zinc/87/80/46/1101878046.db2.gz PKPLUCRVZNWJOV-CNRHGSOZSA-N 1 2 351.406 4.064 20 30 FIEDLO CCCOc1c(Cl)cc(C[NH2+]Cc2nc(C#N)cs2)cc1OCC ZINC000897632799 1102022219 /nfs/dbraw/zinc/02/22/19/1102022219.db2.gz PZLOBZXDUNQUPE-UHFFFAOYSA-N 1 2 365.886 4.145 20 30 FIEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3C)CC2)c(C#N)c1C ZINC000428709481 1102022938 /nfs/dbraw/zinc/02/29/38/1102022938.db2.gz KGAISLHXAPTGNH-UHFFFAOYSA-N 1 2 369.440 4.034 20 30 FIEDLO OCc1ccc(Br)c(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000841651820 1102135957 /nfs/dbraw/zinc/13/59/57/1102135957.db2.gz ATIURJXIDMEUBU-GFCCVEGCSA-N 1 2 372.266 4.061 20 30 FIEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000476620801 1102644881 /nfs/dbraw/zinc/64/48/81/1102644881.db2.gz VVZKUQCPWQGBSR-UHFFFAOYSA-N 1 2 364.493 4.017 20 30 FIEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)c(F)c1 ZINC000476751984 1102754650 /nfs/dbraw/zinc/75/46/50/1102754650.db2.gz BAJGNDHNQVPGMB-KUHUBIRLSA-N 1 2 373.447 4.350 20 30 FIEDLO C=C(C)[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000476751984 1102754665 /nfs/dbraw/zinc/75/46/65/1102754665.db2.gz BAJGNDHNQVPGMB-KUHUBIRLSA-N 1 2 373.447 4.350 20 30 FIEDLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1Cl ZINC000551570390 1103374482 /nfs/dbraw/zinc/37/44/82/1103374482.db2.gz FSSRIRPEDVELLX-HNNXBMFYSA-N 1 2 350.853 4.307 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551711177 1103548645 /nfs/dbraw/zinc/54/86/45/1103548645.db2.gz LMQVDYYQEQSIIM-UHFFFAOYSA-N 1 2 363.486 4.030 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000551711177 1103548658 /nfs/dbraw/zinc/54/86/58/1103548658.db2.gz LMQVDYYQEQSIIM-UHFFFAOYSA-N 1 2 363.486 4.030 20 30 FIEDLO C=CC[NH+](CC=C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000551776705 1103620208 /nfs/dbraw/zinc/62/02/08/1103620208.db2.gz PIWWSGSRICTVRR-OAQYLSRUSA-N 1 2 350.462 4.357 20 30 FIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000441361699 1104299376 /nfs/dbraw/zinc/29/93/76/1104299376.db2.gz XQJJNBKNYBXKTM-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000328750681 1104549750 /nfs/dbraw/zinc/54/97/50/1104549750.db2.gz QQVLPTSEHZVBKV-OAHLLOKOSA-N 1 2 351.372 4.201 20 30 FIEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000328750681 1104549757 /nfs/dbraw/zinc/54/97/57/1104549757.db2.gz QQVLPTSEHZVBKV-OAHLLOKOSA-N 1 2 351.372 4.201 20 30 FIEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000328917819 1104600793 /nfs/dbraw/zinc/60/07/93/1104600793.db2.gz RYVDTJXJPRAGIO-DLBZAZTESA-N 1 2 373.522 4.120 20 30 FIEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000328917819 1104600799 /nfs/dbraw/zinc/60/07/99/1104600799.db2.gz RYVDTJXJPRAGIO-DLBZAZTESA-N 1 2 373.522 4.120 20 30 FIEDLO C=CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000665625441 1106874310 /nfs/dbraw/zinc/87/43/10/1106874310.db2.gz CSWIHVJRZVYUAS-QZTJIDSGSA-N 1 2 371.525 4.306 20 30 FIEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC000108385948 1107849696 /nfs/dbraw/zinc/84/96/96/1107849696.db2.gz CTCLHDMQPDGHFT-FQEVSTJZSA-N 1 2 364.493 4.038 20 30 FIEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC000108385948 1107849718 /nfs/dbraw/zinc/84/97/18/1107849718.db2.gz CTCLHDMQPDGHFT-FQEVSTJZSA-N 1 2 364.493 4.038 20 30 FIEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769258 1108165349 /nfs/dbraw/zinc/16/53/49/1108165349.db2.gz WSTMPCSKFSPIRJ-CQSZACIVSA-N 1 2 370.840 4.003 20 30 FIEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000444801272 1108180844 /nfs/dbraw/zinc/18/08/44/1108180844.db2.gz KXFLFRIWESEETR-HXUWFJFHSA-N 1 2 367.880 4.055 20 30 FIEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000444801272 1108180848 /nfs/dbraw/zinc/18/08/48/1108180848.db2.gz KXFLFRIWESEETR-HXUWFJFHSA-N 1 2 367.880 4.055 20 30 FIEDLO C[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000532345513 1108773477 /nfs/dbraw/zinc/77/34/77/1108773477.db2.gz TYWPOOFTBPVUHJ-XXBNENTESA-N 1 2 369.468 4.006 20 30 FIEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000152224287 1109310742 /nfs/dbraw/zinc/31/07/42/1109310742.db2.gz HUMHXKVKTJIOSB-QGZVFWFLSA-N 1 2 358.445 4.096 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441182877 1109411030 /nfs/dbraw/zinc/41/10/30/1109411030.db2.gz QGHKHIDWOUTEJO-INIZCTEOSA-N 1 2 350.447 4.179 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441182877 1109411035 /nfs/dbraw/zinc/41/10/35/1109411035.db2.gz QGHKHIDWOUTEJO-INIZCTEOSA-N 1 2 350.447 4.179 20 30 FIEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428494506 1109642008 /nfs/dbraw/zinc/64/20/08/1109642008.db2.gz MCAFSISQNOBHGO-NSHDSACASA-N 1 2 363.230 4.319 20 30 FIEDLO COc1cc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000449041371 1109962959 /nfs/dbraw/zinc/96/29/59/1109962959.db2.gz MTKXYCFLEMKYFA-HSZRJFAPSA-N 1 2 358.441 4.294 20 30 FIEDLO COc1cc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000449041371 1109962963 /nfs/dbraw/zinc/96/29/63/1109962963.db2.gz MTKXYCFLEMKYFA-HSZRJFAPSA-N 1 2 358.441 4.294 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449022203 1109963428 /nfs/dbraw/zinc/96/34/28/1109963428.db2.gz XDOMJNVSVSFDMR-MRXNPFEDSA-N 1 2 361.482 4.021 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449022203 1109963431 /nfs/dbraw/zinc/96/34/31/1109963431.db2.gz XDOMJNVSVSFDMR-MRXNPFEDSA-N 1 2 361.482 4.021 20 30 FIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C(C#N)(CC)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528962798 1110163522 /nfs/dbraw/zinc/16/35/22/1110163522.db2.gz JTPLNVAYMOXTLX-IAGOWNOFSA-N 1 2 365.880 4.061 20 30 FIEDLO CC[N@H+]1CC[C@@H](NC(=O)C(C#N)(CC)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528962798 1110163523 /nfs/dbraw/zinc/16/35/23/1110163523.db2.gz JTPLNVAYMOXTLX-IAGOWNOFSA-N 1 2 365.880 4.061 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC23CCC3)cc1OC ZINC000538735398 1111269975 /nfs/dbraw/zinc/26/99/75/1111269975.db2.gz VITJDYNNCBBNBZ-UHFFFAOYSA-N 1 2 352.272 4.151 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC23CCC3)cc1OC ZINC000538735398 1111269978 /nfs/dbraw/zinc/26/99/78/1111269978.db2.gz VITJDYNNCBBNBZ-UHFFFAOYSA-N 1 2 352.272 4.151 20 30 FIEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OCc1ccccc1 ZINC000538723891 1111274841 /nfs/dbraw/zinc/27/48/41/1111274841.db2.gz FQAGZSQLKAKWPZ-QGZVFWFLSA-N 1 2 350.462 4.398 20 30 FIEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OCc1ccccc1 ZINC000538723891 1111274845 /nfs/dbraw/zinc/27/48/45/1111274845.db2.gz FQAGZSQLKAKWPZ-QGZVFWFLSA-N 1 2 350.462 4.398 20 30 FIEDLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000479475539 1112037275 /nfs/dbraw/zinc/03/72/75/1112037275.db2.gz NDCZKQCLDVIEGW-YRNRMSPPSA-N 1 2 350.466 4.130 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000481416608 1112935438 /nfs/dbraw/zinc/93/54/38/1112935438.db2.gz QEMGVIQNGSAYFX-HSZRJFAPSA-N 1 2 369.443 4.443 20 30 FIEDLO CC[C@@H](c1nnc(SC[C@H](C#N)CCC#N)n1C1CCCCC1)[NH+](C)C ZINC000066399157 1113287556 /nfs/dbraw/zinc/28/75/56/1113287556.db2.gz SDOXZWDKRODCCV-RDJZCZTQSA-N 1 2 374.558 4.332 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)ccc1F ZINC000488281160 1113897870 /nfs/dbraw/zinc/89/78/70/1113897870.db2.gz RUBCBPOSQXPTJG-AWEZNQCLSA-N 1 2 350.397 4.215 20 30 FIEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)c1 ZINC000489135978 1114057578 /nfs/dbraw/zinc/05/75/78/1114057578.db2.gz WUQVMVFXZYTKPY-SFHVURJKSA-N 1 2 373.287 4.070 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)cc1 ZINC000489766297 1114175109 /nfs/dbraw/zinc/17/51/09/1114175109.db2.gz MGNULGGJGLUTKX-UHFFFAOYSA-N 1 2 374.488 4.175 20 30 FIEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000593945394 1115354842 /nfs/dbraw/zinc/35/48/42/1115354842.db2.gz KUOMLJNZVSQBHC-IAGOWNOFSA-N 1 2 364.493 4.108 20 30 FIEDLO C[C@H]1CN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000593945395 1115355024 /nfs/dbraw/zinc/35/50/24/1115355024.db2.gz KUOMLJNZVSQBHC-IRXDYDNUSA-N 1 2 364.493 4.108 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000574415818 1115357231 /nfs/dbraw/zinc/35/72/31/1115357231.db2.gz BCFDKBSHIMRPKI-UHFFFAOYSA-N 1 2 360.486 4.262 20 30 FIEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594494300 1115449669 /nfs/dbraw/zinc/44/96/69/1115449669.db2.gz FDROWKPDVNUWAA-HXUWFJFHSA-N 1 2 362.452 4.240 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000594929894 1115491430 /nfs/dbraw/zinc/49/14/30/1115491430.db2.gz PKRUPWXNBUGUDV-CQSZACIVSA-N 1 2 362.408 4.282 20 30 FIEDLO CCOc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)cc1 ZINC000595641360 1115554262 /nfs/dbraw/zinc/55/42/62/1115554262.db2.gz JSDLQWXYVBVGBN-UHFFFAOYSA-N 1 2 362.433 4.032 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1C#N ZINC000599404741 1115812813 /nfs/dbraw/zinc/81/28/13/1115812813.db2.gz WJUBVHKXYGBTKH-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1C#N ZINC000599404741 1115812816 /nfs/dbraw/zinc/81/28/16/1115812816.db2.gz WJUBVHKXYGBTKH-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000604529458 1115869397 /nfs/dbraw/zinc/86/93/97/1115869397.db2.gz BXAFPFAPZZOBRF-UHFFFAOYSA-N 1 2 360.417 4.274 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1cccc(C#N)c1 ZINC000063300704 1116041297 /nfs/dbraw/zinc/04/12/97/1116041297.db2.gz AFSMFJKHCYXJMP-UHFFFAOYSA-N 1 2 361.489 4.310 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1cccc(C#N)c1 ZINC000063300704 1116041299 /nfs/dbraw/zinc/04/12/99/1116041299.db2.gz AFSMFJKHCYXJMP-UHFFFAOYSA-N 1 2 361.489 4.310 20 30 FIEDLO CCCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000608856426 1116134270 /nfs/dbraw/zinc/13/42/70/1116134270.db2.gz HLBQOOGSHBOQEK-UHFFFAOYSA-N 1 2 369.896 4.130 20 30 FIEDLO CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000608856426 1116134273 /nfs/dbraw/zinc/13/42/73/1116134273.db2.gz HLBQOOGSHBOQEK-UHFFFAOYSA-N 1 2 369.896 4.130 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(=Cc4cccc(F)c4)CC3)o2)cc1 ZINC000534210181 1116170018 /nfs/dbraw/zinc/17/00/18/1116170018.db2.gz LXQJAVRBARGJRC-UHFFFAOYSA-N 1 2 374.419 4.427 20 30 FIEDLO C=CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535265082 1116288312 /nfs/dbraw/zinc/28/83/12/1116288312.db2.gz QBHOERSUARFKKP-HXUWFJFHSA-N 1 2 369.534 4.283 20 30 FIEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)C1=O ZINC000539709860 1116368794 /nfs/dbraw/zinc/36/87/94/1116368794.db2.gz AKBBIFQSARDAJZ-UXHICEINSA-N 1 2 372.871 4.253 20 30 FIEDLO Cc1cc(C)c2ncc(C#N)c(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1 ZINC000462775056 1117760347 /nfs/dbraw/zinc/76/03/47/1117760347.db2.gz FNJMSAZKKIDVBZ-UHFFFAOYSA-N 1 2 371.488 4.143 20 30 FIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000463071042 1117956625 /nfs/dbraw/zinc/95/66/25/1117956625.db2.gz QHPYKPIKLWKOCA-AWEZNQCLSA-N 1 2 370.840 4.003 20 30 FIEDLO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H](C)C#N ZINC000541763745 1118635218 /nfs/dbraw/zinc/63/52/18/1118635218.db2.gz UEASUKYVCMDCCR-OAHLLOKOSA-N 1 2 364.424 4.361 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491356458 1118939356 /nfs/dbraw/zinc/93/93/56/1118939356.db2.gz NFUDCTDEFPDNRF-UHFFFAOYSA-N 1 2 369.490 4.057 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491356458 1118939359 /nfs/dbraw/zinc/93/93/59/1118939359.db2.gz NFUDCTDEFPDNRF-UHFFFAOYSA-N 1 2 369.490 4.057 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000030581098 1119035129 /nfs/dbraw/zinc/03/51/29/1119035129.db2.gz BDMDYMALBPZGTH-OAHLLOKOSA-N 1 2 371.506 4.192 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000030581098 1119035134 /nfs/dbraw/zinc/03/51/34/1119035134.db2.gz BDMDYMALBPZGTH-OAHLLOKOSA-N 1 2 371.506 4.192 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2csc(NC(C)=O)n2)C(C)(C)C)cc1 ZINC000177847478 1119356046 /nfs/dbraw/zinc/35/60/46/1119356046.db2.gz QYYQSBOABWSTBR-UHFFFAOYSA-N 1 2 373.522 4.467 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2csc(NC(C)=O)n2)C(C)(C)C)cc1 ZINC000177847478 1119356048 /nfs/dbraw/zinc/35/60/48/1119356048.db2.gz QYYQSBOABWSTBR-UHFFFAOYSA-N 1 2 373.522 4.467 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H](CC)C2)c1=S ZINC000152708469 1119489774 /nfs/dbraw/zinc/48/97/74/1119489774.db2.gz ULWQXPVZBCNGEX-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H](CC)C2)c1=S ZINC000152708469 1119489776 /nfs/dbraw/zinc/48/97/76/1119489776.db2.gz ULWQXPVZBCNGEX-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000761760149 1120356895 /nfs/dbraw/zinc/35/68/95/1120356895.db2.gz JRJDFNFRJABNBZ-QHCPKHFHSA-N 1 2 358.441 4.164 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000761760149 1120356900 /nfs/dbraw/zinc/35/69/00/1120356900.db2.gz JRJDFNFRJABNBZ-QHCPKHFHSA-N 1 2 358.441 4.164 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(C#N)cc1 ZINC000914788864 1120539371 /nfs/dbraw/zinc/53/93/71/1120539371.db2.gz FUBLYBVSTNUENN-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(C#N)cc1 ZINC000914788864 1120539378 /nfs/dbraw/zinc/53/93/78/1120539378.db2.gz FUBLYBVSTNUENN-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000915304800 1120916765 /nfs/dbraw/zinc/91/67/65/1120916765.db2.gz VLKZEQAYPWZXLX-UHFFFAOYSA-N 1 2 370.456 4.061 20 30 FIEDLO N#Cc1c2ccc(Cl)cc2sc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352069 1121183509 /nfs/dbraw/zinc/18/35/09/1121183509.db2.gz GZBLRZINUYICPJ-UHFFFAOYSA-N 1 2 370.865 4.402 20 30 FIEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000763238939 1121299941 /nfs/dbraw/zinc/29/99/41/1121299941.db2.gz CRQYNLSYAIMTTJ-QFIPXVFZSA-N 1 2 371.488 4.338 20 30 FIEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000763238939 1121299946 /nfs/dbraw/zinc/29/99/46/1121299946.db2.gz CRQYNLSYAIMTTJ-QFIPXVFZSA-N 1 2 371.488 4.338 20 30 FIEDLO CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916309891 1121470260 /nfs/dbraw/zinc/47/02/60/1121470260.db2.gz QCODDYSSDOYEAV-UHFFFAOYSA-N 1 2 374.473 4.202 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1F ZINC000552977481 1121472458 /nfs/dbraw/zinc/47/24/58/1121472458.db2.gz MRFCXVBLGZUKEZ-UONOGXRCSA-N 1 2 350.397 4.468 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1F ZINC000552977474 1121477737 /nfs/dbraw/zinc/47/77/37/1121477737.db2.gz MRFCXVBLGZUKEZ-KBPBESRZSA-N 1 2 350.397 4.468 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1cccc(C#N)c1 ZINC000130752551 1122915521 /nfs/dbraw/zinc/91/55/21/1122915521.db2.gz LCWQADRGYVXDGS-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1cccc(C#N)c1 ZINC000130752551 1122915523 /nfs/dbraw/zinc/91/55/23/1122915523.db2.gz LCWQADRGYVXDGS-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1cccs1 ZINC000499049422 1123160959 /nfs/dbraw/zinc/16/09/59/1123160959.db2.gz ZELOWLJTWSBUNY-UHFFFAOYSA-N 1 2 368.546 4.217 20 30 FIEDLO C=CC[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1cccs1 ZINC000499049422 1123160963 /nfs/dbraw/zinc/16/09/63/1123160963.db2.gz ZELOWLJTWSBUNY-UHFFFAOYSA-N 1 2 368.546 4.217 20 30 FIEDLO CCC[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000499092734 1123237969 /nfs/dbraw/zinc/23/79/69/1123237969.db2.gz HNDJGNLYXZZJBP-QFIPXVFZSA-N 1 2 367.537 4.199 20 30 FIEDLO N#CC1(c2ccc(Nc3cc(Br)cn4cc[nH+]c34)cc2)CC1 ZINC001212247513 1123393568 /nfs/dbraw/zinc/39/35/68/1123393568.db2.gz MPSLGSJUEVEFGE-UHFFFAOYSA-N 1 2 353.223 4.396 20 30 FIEDLO C=CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccoc1C ZINC000078708822 1123801889 /nfs/dbraw/zinc/80/18/89/1123801889.db2.gz HPCPWNCOARLUOJ-UHFFFAOYSA-N 1 2 370.478 4.345 20 30 FIEDLO Cc1cccc([C@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000609891792 1123880843 /nfs/dbraw/zinc/88/08/43/1123880843.db2.gz RAPNJCSUFYDRSR-FQEVSTJZSA-N 1 2 355.869 4.006 20 30 FIEDLO N#Cc1cccc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000301290447 1124211682 /nfs/dbraw/zinc/21/16/82/1124211682.db2.gz TYMWFRKNXZKPEX-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO Cc1cc(C)c2ncc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000301349081 1124219644 /nfs/dbraw/zinc/21/96/44/1124219644.db2.gz LSRPXWWFZDKCGR-UHFFFAOYSA-N 1 2 357.461 4.331 20 30 FIEDLO CCC(C)(C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000108747254 1124387578 /nfs/dbraw/zinc/38/75/78/1124387578.db2.gz DHXZAGVWHNABBK-UHFFFAOYSA-N 1 2 367.468 4.004 20 30 FIEDLO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000108747254 1124387581 /nfs/dbraw/zinc/38/75/81/1124387581.db2.gz DHXZAGVWHNABBK-UHFFFAOYSA-N 1 2 367.468 4.004 20 30 FIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CCCc3cccnc32)[nH+]1 ZINC001168655802 1124439591 /nfs/dbraw/zinc/43/95/91/1124439591.db2.gz QRVXYXPVRUTLCX-AYAJPVKESA-N 1 2 370.522 4.156 20 30 FIEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1Cl ZINC000617261641 1124499407 /nfs/dbraw/zinc/49/94/07/1124499407.db2.gz KTMTUCOOLDZZST-UHFFFAOYSA-N 1 2 350.647 4.001 20 30 FIEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1Cl ZINC000617261641 1124499413 /nfs/dbraw/zinc/49/94/13/1124499413.db2.gz KTMTUCOOLDZZST-UHFFFAOYSA-N 1 2 350.647 4.001 20 30 FIEDLO CCCCCCCOc1cccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763496240 1124994562 /nfs/dbraw/zinc/99/45/62/1124994562.db2.gz ZKEUZARYCSTERE-MHECFPHRSA-N 1 2 351.556 4.379 20 30 FIEDLO CCCCCCCOc1cccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763496240 1124994564 /nfs/dbraw/zinc/99/45/64/1124994564.db2.gz ZKEUZARYCSTERE-MHECFPHRSA-N 1 2 351.556 4.379 20 30 FIEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181754517 1125130810 /nfs/dbraw/zinc/13/08/10/1125130810.db2.gz DXABNHLFVHPGGX-JTQLQIEISA-N 1 2 365.861 4.318 20 30 FIEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)ccc1Br ZINC000569619974 568410399 /nfs/dbraw/zinc/41/03/99/568410399.db2.gz XMHFNBRIHLDEBF-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)ccc1Br ZINC000569619974 568410400 /nfs/dbraw/zinc/41/04/00/568410400.db2.gz XMHFNBRIHLDEBF-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1ccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)o1 ZINC000570245615 568466111 /nfs/dbraw/zinc/46/61/11/568466111.db2.gz YNZNNTUHONRRKP-UHFFFAOYSA-N 1 2 367.474 4.232 20 30 FIEDLO Cc1ccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)o1 ZINC000570245615 568466113 /nfs/dbraw/zinc/46/61/13/568466113.db2.gz YNZNNTUHONRRKP-UHFFFAOYSA-N 1 2 367.474 4.232 20 30 FIEDLO C=C(C)C[N@@H+](CC)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000078282489 1125487519 /nfs/dbraw/zinc/48/75/19/1125487519.db2.gz XTAQPRRAXHNNRS-UHFFFAOYSA-N 1 2 357.523 4.339 20 30 FIEDLO C=C(C)C[N@H+](CC)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000078282489 1125487523 /nfs/dbraw/zinc/48/75/23/1125487523.db2.gz XTAQPRRAXHNNRS-UHFFFAOYSA-N 1 2 357.523 4.339 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccsc3)CC2)c(C#N)c1C ZINC000186940592 1079747815 /nfs/dbraw/zinc/74/78/15/1079747815.db2.gz VPGLOKUBYFGFJK-CYBMUJFWSA-N 1 2 357.479 4.036 20 30 FIEDLO Cc1ccc(-c2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)on2)cc1 ZINC000471154456 1079961023 /nfs/dbraw/zinc/96/10/23/1079961023.db2.gz RHJLFYACPAPYSC-HSZRJFAPSA-N 1 2 372.472 4.033 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084917 1080184168 /nfs/dbraw/zinc/18/41/68/1080184168.db2.gz ZBAFLIWEMLQUIJ-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084917 1080184171 /nfs/dbraw/zinc/18/41/71/1080184171.db2.gz ZBAFLIWEMLQUIJ-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000187232929 1080536979 /nfs/dbraw/zinc/53/69/79/1080536979.db2.gz SFPKZXKKAGTUDY-UHFFFAOYSA-N 1 2 371.843 4.201 20 30 FIEDLO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(Cl)c1 ZINC000430313706 1080724203 /nfs/dbraw/zinc/72/42/03/1080724203.db2.gz VNIQONYBVJFTJR-UHFFFAOYSA-N 1 2 362.864 4.247 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(Cl)c1 ZINC000430313706 1080724210 /nfs/dbraw/zinc/72/42/10/1080724210.db2.gz VNIQONYBVJFTJR-UHFFFAOYSA-N 1 2 362.864 4.247 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001167186296 1080809434 /nfs/dbraw/zinc/80/94/34/1080809434.db2.gz DGWIKFWYQJBQIH-UHFFFAOYSA-N 1 2 361.464 4.420 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001167186296 1080809440 /nfs/dbraw/zinc/80/94/40/1080809440.db2.gz DGWIKFWYQJBQIH-UHFFFAOYSA-N 1 2 361.464 4.420 20 30 FIEDLO FC(F)(F)c1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nc1 ZINC000683521451 1081046406 /nfs/dbraw/zinc/04/64/06/1081046406.db2.gz MOVWJZFIZNIAIG-NXEZZACHSA-N 1 2 366.227 4.273 20 30 FIEDLO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1F ZINC000610368111 1081551784 /nfs/dbraw/zinc/55/17/84/1081551784.db2.gz UEJVSDIWMPEVNY-UHFFFAOYSA-N 1 2 350.397 4.160 20 30 FIEDLO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1F ZINC000610368111 1081551788 /nfs/dbraw/zinc/55/17/88/1081551788.db2.gz UEJVSDIWMPEVNY-UHFFFAOYSA-N 1 2 350.397 4.160 20 30 FIEDLO C=CC1CC[NH+](Cc2ccc(I)cc2Cl)CC1 ZINC001167406444 1081962606 /nfs/dbraw/zinc/96/26/06/1081962606.db2.gz QFVSNLRURNBXSP-UHFFFAOYSA-N 1 2 361.654 4.343 20 30 FIEDLO CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000430597095 1082559856 /nfs/dbraw/zinc/55/98/56/1082559856.db2.gz YVZQFWXFURITDV-HNNXBMFYSA-N 1 2 350.447 4.116 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187469751 1082983669 /nfs/dbraw/zinc/98/36/69/1082983669.db2.gz JQPJAACAUOUAKA-OAHLLOKOSA-N 1 2 368.790 4.264 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187469751 1082983670 /nfs/dbraw/zinc/98/36/70/1082983670.db2.gz JQPJAACAUOUAKA-OAHLLOKOSA-N 1 2 368.790 4.264 20 30 FIEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cnc3c(F)ccc(F)c32)c1C ZINC000610575554 1083118196 /nfs/dbraw/zinc/11/81/96/1083118196.db2.gz DWHLEDSWRGPSRA-UHFFFAOYSA-N 1 2 368.387 4.042 20 30 FIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000612404313 1083778564 /nfs/dbraw/zinc/77/85/64/1083778564.db2.gz CWQGFBMDSSEUFL-JOCHJYFZSA-N 1 2 357.461 4.060 20 30 FIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000612404313 1083778578 /nfs/dbraw/zinc/77/85/78/1083778578.db2.gz CWQGFBMDSSEUFL-JOCHJYFZSA-N 1 2 357.461 4.060 20 30 FIEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000190440403 1083794789 /nfs/dbraw/zinc/79/47/89/1083794789.db2.gz KSQFTNXHONELFS-NSHDSACASA-N 1 2 363.230 4.319 20 30 FIEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000181271558 1083850796 /nfs/dbraw/zinc/85/07/96/1083850796.db2.gz KWKKUYXKSOJJNA-UHFFFAOYSA-N 1 2 353.491 4.276 20 30 FIEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000181271558 1083850802 /nfs/dbraw/zinc/85/08/02/1083850802.db2.gz KWKKUYXKSOJJNA-UHFFFAOYSA-N 1 2 353.491 4.276 20 30 FIEDLO FC(F)(F)Oc1cc(Br)ccc1C[NH+]1CCC(S)CC1 ZINC001140514113 1083870153 /nfs/dbraw/zinc/87/01/53/1083870153.db2.gz WJMGQVUCFNZEJG-UHFFFAOYSA-N 1 2 370.234 4.242 20 30 FIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000580900449 1084485220 /nfs/dbraw/zinc/48/52/20/1084485220.db2.gz LEQRPXNEOXPVBD-IBGZPJMESA-N 1 2 371.868 4.240 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000613493793 1084832383 /nfs/dbraw/zinc/83/23/83/1084832383.db2.gz OLFALFVYROFVPI-KRWDZBQOSA-N 1 2 365.315 4.011 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000613493793 1084832390 /nfs/dbraw/zinc/83/23/90/1084832390.db2.gz OLFALFVYROFVPI-KRWDZBQOSA-N 1 2 365.315 4.011 20 30 FIEDLO O=C1c2c(c(F)ccc2Br)C/C1=C\c1cccc2[nH+]ccn21 ZINC000180319866 1085054519 /nfs/dbraw/zinc/05/45/19/1085054519.db2.gz YZNAAAHCYVHIFR-CSKARUKUSA-N 1 2 357.182 4.058 20 30 FIEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000657467123 1085140500 /nfs/dbraw/zinc/14/05/00/1085140500.db2.gz FVVPTNPVHPQMDL-UHFFFAOYSA-N 1 2 373.247 4.026 20 30 FIEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@H]2C ZINC000611688324 1085346993 /nfs/dbraw/zinc/34/69/93/1085346993.db2.gz XSVNVYYWKDUUQQ-GJZGRUSLSA-N 1 2 374.444 4.125 20 30 FIEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@H]2C ZINC000611688324 1085346998 /nfs/dbraw/zinc/34/69/98/1085346998.db2.gz XSVNVYYWKDUUQQ-GJZGRUSLSA-N 1 2 374.444 4.125 20 30 FIEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1CCc1cccs1 ZINC000661149372 1085419886 /nfs/dbraw/zinc/41/98/86/1085419886.db2.gz AMGCHNKZSDMFSY-SFHVURJKSA-N 1 2 369.534 4.218 20 30 FIEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1CCc1cccs1 ZINC000661149372 1085419892 /nfs/dbraw/zinc/41/98/92/1085419892.db2.gz AMGCHNKZSDMFSY-SFHVURJKSA-N 1 2 369.534 4.218 20 30 FIEDLO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NCc2cc[nH+]c(N)c2)c1 ZINC001167617587 1085723303 /nfs/dbraw/zinc/72/33/03/1085723303.db2.gz QKDOOZUBSSCCFT-UHFFFAOYSA-N 1 2 369.350 4.228 20 30 FIEDLO C=CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccccc1 ZINC000487376580 1086089998 /nfs/dbraw/zinc/08/99/98/1086089998.db2.gz NKJHTAFKHRHPPV-UHFFFAOYSA-N 1 2 359.351 4.342 20 30 FIEDLO C=CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccccc1 ZINC000487376580 1086090011 /nfs/dbraw/zinc/09/00/11/1086090011.db2.gz NKJHTAFKHRHPPV-UHFFFAOYSA-N 1 2 359.351 4.342 20 30 FIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247969518 1086204688 /nfs/dbraw/zinc/20/46/88/1086204688.db2.gz FLAYPRDTCINSOV-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247969518 1086204694 /nfs/dbraw/zinc/20/46/94/1086204694.db2.gz FLAYPRDTCINSOV-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cnccc1C(F)(F)F ZINC000663354728 1086458063 /nfs/dbraw/zinc/45/80/63/1086458063.db2.gz ZHXSNZICZMQSOK-UHFFFAOYSA-N 1 2 368.252 4.428 20 30 FIEDLO Cn1ccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)n1 ZINC000583663565 1086907248 /nfs/dbraw/zinc/90/72/48/1086907248.db2.gz LTIVENGWWQOQPC-CTNGQTDRSA-N 1 2 362.864 4.312 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000329634284 1087121692 /nfs/dbraw/zinc/12/16/92/1087121692.db2.gz TTZNQONGXVYPLY-APWZRJJASA-N 1 2 372.900 4.452 20 30 FIEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1F ZINC000635490549 1087185691 /nfs/dbraw/zinc/18/56/91/1087185691.db2.gz VEESVRWXMXMIKT-NSHDSACASA-N 1 2 369.240 4.173 20 30 FIEDLO C=CCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000502016870 1087451111 /nfs/dbraw/zinc/45/11/11/1087451111.db2.gz LHZSLHZTUWYJTG-INIZCTEOSA-N 1 2 351.372 4.185 20 30 FIEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000502016870 1087451115 /nfs/dbraw/zinc/45/11/15/1087451115.db2.gz LHZSLHZTUWYJTG-INIZCTEOSA-N 1 2 351.372 4.185 20 30 FIEDLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1OCCCC#N ZINC000093454313 1087689945 /nfs/dbraw/zinc/68/99/45/1087689945.db2.gz PUEIWJOBWMTZTN-UHFFFAOYSA-N 1 2 354.425 4.075 20 30 FIEDLO COc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1OCCCC#N ZINC000093454313 1087689946 /nfs/dbraw/zinc/68/99/46/1087689946.db2.gz PUEIWJOBWMTZTN-UHFFFAOYSA-N 1 2 354.425 4.075 20 30 FIEDLO N#Cc1c(Br)cccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000472355989 1087745010 /nfs/dbraw/zinc/74/50/10/1087745010.db2.gz MVGJQXKUTAMFSY-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Br)cc2Cl)nn1 ZINC000424294642 1087901886 /nfs/dbraw/zinc/90/18/86/1087901886.db2.gz LGLBANBCPPFNGB-OAHLLOKOSA-N 1 2 369.694 4.121 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000505034883 1088074366 /nfs/dbraw/zinc/07/43/66/1088074366.db2.gz IEOKALKJJFTDMW-UHFFFAOYSA-N 1 2 374.488 4.414 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494481 1088681581 /nfs/dbraw/zinc/68/15/81/1088681581.db2.gz OOQRKGNRTUOYLF-UHFFFAOYSA-N 1 2 371.843 4.111 20 30 FIEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000434713414 1088958354 /nfs/dbraw/zinc/95/83/54/1088958354.db2.gz HGTHOIPVJFTDNB-ZDUSSCGKSA-N 1 2 371.506 4.249 20 30 FIEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000434713414 1088958356 /nfs/dbraw/zinc/95/83/56/1088958356.db2.gz HGTHOIPVJFTDNB-ZDUSSCGKSA-N 1 2 371.506 4.249 20 30 FIEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000472837932 1089714626 /nfs/dbraw/zinc/71/46/26/1089714626.db2.gz UQADVYQJVFLEAG-FQEVSTJZSA-N 1 2 370.456 4.221 20 30 FIEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000584463224 1090672883 /nfs/dbraw/zinc/67/28/83/1090672883.db2.gz GGDSWTJUQXISQT-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000584463224 1090672895 /nfs/dbraw/zinc/67/28/95/1090672895.db2.gz GGDSWTJUQXISQT-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO C=CC[N@@H+](Cc1cnc(N(CC)CC)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375141 1092181910 /nfs/dbraw/zinc/18/19/10/1092181910.db2.gz MRQWKPJAWGVAMU-UHFFFAOYSA-N 1 2 360.483 4.086 20 30 FIEDLO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375141 1092181917 /nfs/dbraw/zinc/18/19/17/1092181917.db2.gz MRQWKPJAWGVAMU-UHFFFAOYSA-N 1 2 360.483 4.086 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000512511368 1092613683 /nfs/dbraw/zinc/61/36/83/1092613683.db2.gz GRQFZYNFBXNMML-IBGZPJMESA-N 1 2 372.557 4.237 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000512511368 1092613690 /nfs/dbraw/zinc/61/36/90/1092613690.db2.gz GRQFZYNFBXNMML-IBGZPJMESA-N 1 2 372.557 4.237 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000512532092 1092659142 /nfs/dbraw/zinc/65/91/42/1092659142.db2.gz LOWYKJWAQFOXGM-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000512532092 1092659144 /nfs/dbraw/zinc/65/91/44/1092659144.db2.gz LOWYKJWAQFOXGM-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1C#N ZINC000549689486 1092695837 /nfs/dbraw/zinc/69/58/37/1092695837.db2.gz ZUSDROAARQIXJG-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1C#N ZINC000549689486 1092695844 /nfs/dbraw/zinc/69/58/44/1092695844.db2.gz ZUSDROAARQIXJG-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428727633 1092923965 /nfs/dbraw/zinc/92/39/65/1092923965.db2.gz IWVJJJMITGELPA-OAQYLSRUSA-N 1 2 366.436 4.100 20 30 FIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000509807716 1093418971 /nfs/dbraw/zinc/41/89/71/1093418971.db2.gz POSCGOAUAOOWRE-GWCFXTLKSA-N 1 2 354.294 4.150 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000509807716 1093419000 /nfs/dbraw/zinc/41/90/00/1093419000.db2.gz POSCGOAUAOOWRE-GWCFXTLKSA-N 1 2 354.294 4.150 20 30 FIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474276654 1093644999 /nfs/dbraw/zinc/64/49/99/1093644999.db2.gz KTHFIXANLROGNO-SECBINFHSA-N 1 2 351.166 4.082 20 30 FIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474276654 1093645007 /nfs/dbraw/zinc/64/50/07/1093645007.db2.gz KTHFIXANLROGNO-SECBINFHSA-N 1 2 351.166 4.082 20 30 FIEDLO C[C@@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000513684296 1094274893 /nfs/dbraw/zinc/27/48/93/1094274893.db2.gz QRYUOUXRMLNQOY-INIZCTEOSA-N 1 2 371.431 4.038 20 30 FIEDLO N#CC1(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)CCCCC1 ZINC000102694064 1094653623 /nfs/dbraw/zinc/65/36/23/1094653623.db2.gz MPJTVTGDYGSWGR-UHFFFAOYSA-N 1 2 373.547 4.154 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037881 1094721215 /nfs/dbraw/zinc/72/12/15/1094721215.db2.gz NKWMMFWRSWBTPZ-JSGCOSHPSA-N 1 2 362.861 4.114 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037881 1094721227 /nfs/dbraw/zinc/72/12/27/1094721227.db2.gz NKWMMFWRSWBTPZ-JSGCOSHPSA-N 1 2 362.861 4.114 20 30 FIEDLO O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329272966 1094810071 /nfs/dbraw/zinc/81/00/71/1094810071.db2.gz JUGAFFCENRRJLT-INIZCTEOSA-N 1 2 374.872 4.070 20 30 FIEDLO O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329272966 1094810090 /nfs/dbraw/zinc/81/00/90/1094810090.db2.gz JUGAFFCENRRJLT-INIZCTEOSA-N 1 2 374.872 4.070 20 30 FIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1Cl ZINC000474897561 1094879934 /nfs/dbraw/zinc/87/99/34/1094879934.db2.gz HSWLVXYZBUZNNK-GOSISDBHSA-N 1 2 364.836 4.290 20 30 FIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1Cl ZINC000474897561 1094879959 /nfs/dbraw/zinc/87/99/59/1094879959.db2.gz HSWLVXYZBUZNNK-GOSISDBHSA-N 1 2 364.836 4.290 20 30 FIEDLO CCC1(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCOCC1 ZINC000329436203 1094904281 /nfs/dbraw/zinc/90/42/81/1094904281.db2.gz LVETUZILFUBEJI-UHFFFAOYSA-N 1 2 351.516 4.170 20 30 FIEDLO CCC1(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCOCC1 ZINC000329462611 1094920114 /nfs/dbraw/zinc/92/01/14/1094920114.db2.gz TYVZVILRLRLGRU-AWEZNQCLSA-N 1 2 351.516 4.170 20 30 FIEDLO CCC1(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCOCC1 ZINC000329462611 1094920116 /nfs/dbraw/zinc/92/01/16/1094920116.db2.gz TYVZVILRLRLGRU-AWEZNQCLSA-N 1 2 351.516 4.170 20 30 FIEDLO C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000329619629 1095008407 /nfs/dbraw/zinc/00/84/07/1095008407.db2.gz MHJJLIUSWBYNRH-JKSUJKDBSA-N 1 2 352.482 4.410 20 30 FIEDLO C=CCC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000502005864 1095048079 /nfs/dbraw/zinc/04/80/79/1095048079.db2.gz ANNUQQGOJIVJDB-OAHLLOKOSA-N 1 2 351.372 4.185 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000329711384 1095198774 /nfs/dbraw/zinc/19/87/74/1095198774.db2.gz OMPZZDPNHDRVAB-MDNKFWRPSA-N 1 2 352.482 4.016 20 30 FIEDLO Cc1csc(C2([NH2+]CC(=O)N[C@@H]3CCCc4ccccc43)CCC2)n1 ZINC000329752895 1095251752 /nfs/dbraw/zinc/25/17/52/1095251752.db2.gz JTJNETJUYIWXJR-QGZVFWFLSA-N 1 2 355.507 4.454 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC=C(c2cccc3ccccc32)C1 ZINC000329768595 1095258083 /nfs/dbraw/zinc/25/80/83/1095258083.db2.gz DUOLQPRALPJEFU-UHFFFAOYSA-N 1 2 372.472 4.186 20 30 FIEDLO C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCS1 ZINC000329792856 1095267082 /nfs/dbraw/zinc/26/70/82/1095267082.db2.gz FOJOWDNVHXCFQA-OAHLLOKOSA-N 1 2 370.522 4.259 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330085027 1095372786 /nfs/dbraw/zinc/37/27/86/1095372786.db2.gz CNUJVULEVVJVMR-CBGDNZLLSA-N 1 2 360.498 4.056 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330085027 1095372804 /nfs/dbraw/zinc/37/28/04/1095372804.db2.gz CNUJVULEVVJVMR-CBGDNZLLSA-N 1 2 360.498 4.056 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330186197 1095409737 /nfs/dbraw/zinc/40/97/37/1095409737.db2.gz RWAHVPZUJMKSNN-PMXSJFBMSA-N 1 2 366.509 4.406 20 30 FIEDLO Cc1csc(C2([NH2+]CC(=O)NC34CC5CC(CC(C5)C3)C4)CCC2)n1 ZINC000330259097 1095436629 /nfs/dbraw/zinc/43/66/29/1095436629.db2.gz NBFCXZNBQQAUIM-UHFFFAOYSA-N 1 2 359.539 4.346 20 30 FIEDLO N#CC1(CCCNc2cccc3c2CN(c2cccc[nH+]2)C3)CCOCC1 ZINC000281331636 1095524189 /nfs/dbraw/zinc/52/41/89/1095524189.db2.gz VWGNXNSHEZGTIN-UHFFFAOYSA-N 1 2 362.477 4.114 20 30 FIEDLO CCc1nc(NC(=O)C[NH+]2CCC(c3ncc(C)s3)CC2)sc1C ZINC000330330223 1095527230 /nfs/dbraw/zinc/52/72/30/1095527230.db2.gz NEIOONCDHKTBEJ-UHFFFAOYSA-N 1 2 364.540 4.246 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000502653850 1095675726 /nfs/dbraw/zinc/67/57/26/1095675726.db2.gz UJTKDPVMGCWRMT-UHFFFAOYSA-N 1 2 367.880 4.275 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000502653850 1095675730 /nfs/dbraw/zinc/67/57/30/1095675730.db2.gz UJTKDPVMGCWRMT-UHFFFAOYSA-N 1 2 367.880 4.275 20 30 FIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC#N)cc3)n2)cc1 ZINC000273315749 1096250266 /nfs/dbraw/zinc/25/02/66/1096250266.db2.gz OHEVCPCSGHGNMQ-OAHLLOKOSA-N 1 2 362.433 4.052 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000532903357 1098579136 /nfs/dbraw/zinc/57/91/36/1098579136.db2.gz WCSYODCUDFJAAL-OAHLLOKOSA-N 1 2 371.481 4.148 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000532903357 1098579147 /nfs/dbraw/zinc/57/91/47/1098579147.db2.gz WCSYODCUDFJAAL-OAHLLOKOSA-N 1 2 371.481 4.148 20 30 FIEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436181405 1098806334 /nfs/dbraw/zinc/80/63/34/1098806334.db2.gz RXGJZXVQVOLPQY-NRFANRHFSA-N 1 2 353.466 4.054 20 30 FIEDLO CCN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000026323242 1098977979 /nfs/dbraw/zinc/97/79/79/1098977979.db2.gz UIQISEQYUOJDIH-UHFFFAOYSA-N 1 2 357.457 4.196 20 30 FIEDLO CCN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000026323242 1098977983 /nfs/dbraw/zinc/97/79/83/1098977983.db2.gz UIQISEQYUOJDIH-UHFFFAOYSA-N 1 2 357.457 4.196 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533484207 1099104060 /nfs/dbraw/zinc/10/40/60/1099104060.db2.gz OCICLNFXRHWNES-SFHVURJKSA-N 1 2 353.491 4.135 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484207 1099104067 /nfs/dbraw/zinc/10/40/67/1099104067.db2.gz OCICLNFXRHWNES-SFHVURJKSA-N 1 2 353.491 4.135 20 30 FIEDLO COc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000459387330 1099333960 /nfs/dbraw/zinc/33/39/60/1099333960.db2.gz CIQFULWZQXQATH-CQSZACIVSA-N 1 2 369.421 4.113 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000506014198 1099781424 /nfs/dbraw/zinc/78/14/24/1099781424.db2.gz YKFMDJZIONMRHP-UHFFFAOYSA-N 1 2 351.237 4.169 20 30 FIEDLO Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)cc2)c1 ZINC000506040689 1099842002 /nfs/dbraw/zinc/84/20/02/1099842002.db2.gz DMRJTEMSSITAKM-UHFFFAOYSA-N 1 2 363.461 4.352 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2cccc(F)c2o1 ZINC000475714667 1101452381 /nfs/dbraw/zinc/45/23/81/1101452381.db2.gz JHZIPUWZNVXWAW-GFCCVEGCSA-N 1 2 362.364 4.344 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000506638533 1101645346 /nfs/dbraw/zinc/64/53/46/1101645346.db2.gz DKZQHAURRLXECD-AWEZNQCLSA-N 1 2 353.397 4.291 20 30 FIEDLO OCc1ccc(Br)c(N[NH+]=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000841651821 1102135559 /nfs/dbraw/zinc/13/55/59/1102135559.db2.gz ATIURJXIDMEUBU-LBPRGKRZSA-N 1 2 372.266 4.061 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000532473772 1102397780 /nfs/dbraw/zinc/39/77/80/1102397780.db2.gz UPINAPFJVKQBJV-AWEZNQCLSA-N 1 2 359.520 4.070 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000532473772 1102397794 /nfs/dbraw/zinc/39/77/94/1102397794.db2.gz UPINAPFJVKQBJV-AWEZNQCLSA-N 1 2 359.520 4.070 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670252 1102685098 /nfs/dbraw/zinc/68/50/98/1102685098.db2.gz WGAQIRSJFRWUDO-AEFFLSMTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670252 1102685106 /nfs/dbraw/zinc/68/51/06/1102685106.db2.gz WGAQIRSJFRWUDO-AEFFLSMTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=C(C)[C@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)c(F)c1 ZINC000476751985 1102755050 /nfs/dbraw/zinc/75/50/50/1102755050.db2.gz BAJGNDHNQVPGMB-LIRRHRJNSA-N 1 2 373.447 4.350 20 30 FIEDLO C=C(C)[C@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000476751985 1102755058 /nfs/dbraw/zinc/75/50/58/1102755058.db2.gz BAJGNDHNQVPGMB-LIRRHRJNSA-N 1 2 373.447 4.350 20 30 FIEDLO Cc1cc(C)cc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000537686633 1102853129 /nfs/dbraw/zinc/85/31/29/1102853129.db2.gz IQRNZDTZNKOJIA-SFHVURJKSA-N 1 2 359.473 4.291 20 30 FIEDLO Cc1cc(C)cc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000537686633 1102853146 /nfs/dbraw/zinc/85/31/46/1102853146.db2.gz IQRNZDTZNKOJIA-SFHVURJKSA-N 1 2 359.473 4.291 20 30 FIEDLO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000486787354 1102912212 /nfs/dbraw/zinc/91/22/12/1102912212.db2.gz JYACBNAVBHEYPP-UHFFFAOYSA-N 1 2 369.481 4.193 20 30 FIEDLO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000486787354 1102912219 /nfs/dbraw/zinc/91/22/19/1102912219.db2.gz JYACBNAVBHEYPP-UHFFFAOYSA-N 1 2 369.481 4.193 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760537183 1102968776 /nfs/dbraw/zinc/96/87/76/1102968776.db2.gz CTVDMFPIYOTZNA-UHFFFAOYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760537183 1102968780 /nfs/dbraw/zinc/96/87/80/1102968780.db2.gz CTVDMFPIYOTZNA-UHFFFAOYSA-N 1 2 360.502 4.486 20 30 FIEDLO O=[N+]([O-])c1ccc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000441171613 1104180093 /nfs/dbraw/zinc/18/00/93/1104180093.db2.gz PAFFDEGRYZKWBE-UHFFFAOYSA-N 1 2 370.836 4.143 20 30 FIEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328721569 1104533222 /nfs/dbraw/zinc/53/32/22/1104533222.db2.gz WYFCERVRJXOCNC-INIZCTEOSA-N 1 2 356.470 4.118 20 30 FIEDLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328721570 1104533308 /nfs/dbraw/zinc/53/33/08/1104533308.db2.gz WYFCERVRJXOCNC-MRXNPFEDSA-N 1 2 356.470 4.118 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC12CCCCC2 ZINC000328952167 1104597057 /nfs/dbraw/zinc/59/70/57/1104597057.db2.gz CVNQLRBZNLJFCB-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC12CCCCC2 ZINC000328952167 1104597060 /nfs/dbraw/zinc/59/70/60/1104597060.db2.gz CVNQLRBZNLJFCB-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C#N)CC1 ZINC000057879264 1104940116 /nfs/dbraw/zinc/94/01/16/1104940116.db2.gz VRMOQIZQDOVOAU-NSHDSACASA-N 1 2 350.344 4.052 20 30 FIEDLO CC(C)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000441540895 1104976443 /nfs/dbraw/zinc/97/64/43/1104976443.db2.gz CJMOIHDVSMEYRC-UHFFFAOYSA-N 1 2 364.424 4.406 20 30 FIEDLO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000441540895 1104976450 /nfs/dbraw/zinc/97/64/50/1104976450.db2.gz CJMOIHDVSMEYRC-UHFFFAOYSA-N 1 2 364.424 4.406 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000186499181 1107506119 /nfs/dbraw/zinc/50/61/19/1107506119.db2.gz FLKGDDNQGAWXCP-UHFFFAOYSA-N 1 2 353.853 4.062 20 30 FIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000531205098 1107645274 /nfs/dbraw/zinc/64/52/74/1107645274.db2.gz WMMHCOILIBZIJL-HUUCEWRRSA-N 1 2 373.859 4.465 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000531205099 1107645876 /nfs/dbraw/zinc/64/58/76/1107645876.db2.gz WMMHCOILIBZIJL-LSDHHAIUSA-N 1 2 373.859 4.465 20 30 FIEDLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000524178469 1108888296 /nfs/dbraw/zinc/88/82/96/1108888296.db2.gz KBCXPZFRHGNQAI-HNNXBMFYSA-N 1 2 371.506 4.092 20 30 FIEDLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000524178469 1108888300 /nfs/dbraw/zinc/88/83/00/1108888300.db2.gz KBCXPZFRHGNQAI-HNNXBMFYSA-N 1 2 371.506 4.092 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC000528370615 1109979423 /nfs/dbraw/zinc/97/94/23/1109979423.db2.gz GPMIASQNZQMFET-UHFFFAOYSA-N 1 2 361.367 4.015 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000538368396 1111112040 /nfs/dbraw/zinc/11/20/40/1111112040.db2.gz DCMFTOBNPAHDFI-PWIZWCRZSA-N 1 2 352.482 4.156 20 30 FIEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1OC(F)F ZINC000539253764 1111488330 /nfs/dbraw/zinc/48/83/30/1111488330.db2.gz XDWMAPNILVUESZ-QGZVFWFLSA-N 1 2 374.387 4.187 20 30 FIEDLO CC[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000479475538 1112037092 /nfs/dbraw/zinc/03/70/92/1112037092.db2.gz NDCZKQCLDVIEGW-QINHECLXSA-N 1 2 350.466 4.130 20 30 FIEDLO C=CCC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCC1 ZINC000480168531 1112304981 /nfs/dbraw/zinc/30/49/81/1112304981.db2.gz MPEATVYVYARKOE-UHFFFAOYSA-N 1 2 363.465 4.008 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551433 1112472415 /nfs/dbraw/zinc/47/24/15/1112472415.db2.gz KXFLRDXOSYOGAE-SJLPKXTDSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551433 1112472417 /nfs/dbraw/zinc/47/24/17/1112472417.db2.gz KXFLRDXOSYOGAE-SJLPKXTDSA-N 1 2 366.427 4.102 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000028176081 1113861276 /nfs/dbraw/zinc/86/12/76/1113861276.db2.gz QFACOTHEQUYFHA-KRWDZBQOSA-N 1 2 367.518 4.058 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000028176081 1113861278 /nfs/dbraw/zinc/86/12/78/1113861278.db2.gz QFACOTHEQUYFHA-KRWDZBQOSA-N 1 2 367.518 4.058 20 30 FIEDLO C=CC[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000488318513 1113907087 /nfs/dbraw/zinc/90/70/87/1113907087.db2.gz XGTSNSMDKOQQEI-XMSQKQJNSA-N 1 2 364.489 4.378 20 30 FIEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000029530206 1114316067 /nfs/dbraw/zinc/31/60/67/1114316067.db2.gz OGCCHMVEYIUCJG-INIZCTEOSA-N 1 2 354.885 4.107 20 30 FIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1sccc1Br ZINC000588978865 1114684541 /nfs/dbraw/zinc/68/45/41/1114684541.db2.gz QZIBTSBLKQRVKM-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1sccc1Br ZINC000588978865 1114684545 /nfs/dbraw/zinc/68/45/45/1114684545.db2.gz QZIBTSBLKQRVKM-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO N#Cc1ccc(OCCOc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000573125625 1115047228 /nfs/dbraw/zinc/04/72/28/1115047228.db2.gz OXCRSGBVPTYVIT-UHFFFAOYSA-N 1 2 359.429 4.216 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207576 1115154947 /nfs/dbraw/zinc/15/49/47/1115154947.db2.gz WPLXPURZVVTNFH-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207576 1115154949 /nfs/dbraw/zinc/15/49/49/1115154949.db2.gz WPLXPURZVVTNFH-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000594495101 1115450100 /nfs/dbraw/zinc/45/01/00/1115450100.db2.gz OUDYVNQQQDCPEN-HXUWFJFHSA-N 1 2 362.452 4.240 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611936 1115553758 /nfs/dbraw/zinc/55/37/58/1115553758.db2.gz PPTNHMXQPHKWFW-NWDGAFQWSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611936 1115553761 /nfs/dbraw/zinc/55/37/61/1115553761.db2.gz PPTNHMXQPHKWFW-NWDGAFQWSA-N 1 2 373.806 4.311 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000595613805 1115553930 /nfs/dbraw/zinc/55/39/30/1115553930.db2.gz HWDBCLHXMZHFHC-NSHDSACASA-N 1 2 351.237 4.169 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000595613805 1115553932 /nfs/dbraw/zinc/55/39/32/1115553932.db2.gz HWDBCLHXMZHFHC-NSHDSACASA-N 1 2 351.237 4.169 20 30 FIEDLO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@H](C)C#N ZINC000595820624 1115563070 /nfs/dbraw/zinc/56/30/70/1115563070.db2.gz NQXHXAQBNFUSOY-CQSZACIVSA-N 1 2 366.303 4.019 20 30 FIEDLO CC[N@@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@H](C)C#N ZINC000595820624 1115563073 /nfs/dbraw/zinc/56/30/73/1115563073.db2.gz NQXHXAQBNFUSOY-CQSZACIVSA-N 1 2 366.303 4.019 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595839531 1115564145 /nfs/dbraw/zinc/56/41/45/1115564145.db2.gz GWRGGCSQPOHKKK-HSZRJFAPSA-N 1 2 372.472 4.283 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595839531 1115564147 /nfs/dbraw/zinc/56/41/47/1115564147.db2.gz GWRGGCSQPOHKKK-HSZRJFAPSA-N 1 2 372.472 4.283 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000596995591 1115633886 /nfs/dbraw/zinc/63/38/86/1115633886.db2.gz KSFUWEHWICQOTL-HXUWFJFHSA-N 1 2 352.865 4.469 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000596995591 1115633888 /nfs/dbraw/zinc/63/38/88/1115633888.db2.gz KSFUWEHWICQOTL-HXUWFJFHSA-N 1 2 352.865 4.469 20 30 FIEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000597232362 1115650206 /nfs/dbraw/zinc/65/02/06/1115650206.db2.gz TWTVLHHGZUUAHH-MRXNPFEDSA-N 1 2 362.296 4.308 20 30 FIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000597232362 1115650207 /nfs/dbraw/zinc/65/02/07/1115650207.db2.gz TWTVLHHGZUUAHH-MRXNPFEDSA-N 1 2 362.296 4.308 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599514898 1115821572 /nfs/dbraw/zinc/82/15/72/1115821572.db2.gz IXSMJDGFBJODCU-PBHICJAKSA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599514898 1115821574 /nfs/dbraw/zinc/82/15/74/1115821574.db2.gz IXSMJDGFBJODCU-PBHICJAKSA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000603934166 1115834207 /nfs/dbraw/zinc/83/42/07/1115834207.db2.gz IKWBWOLEHDCNJW-HNNXBMFYSA-N 1 2 367.880 4.053 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000603934166 1115834209 /nfs/dbraw/zinc/83/42/09/1115834209.db2.gz IKWBWOLEHDCNJW-HNNXBMFYSA-N 1 2 367.880 4.053 20 30 FIEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCc4c(CC#N)cccc4C3)o2)cc1 ZINC000599686309 1115838015 /nfs/dbraw/zinc/83/80/15/1115838015.db2.gz PSMXEBPJNZLNDU-INIZCTEOSA-N 1 2 358.445 4.230 20 30 FIEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCc4c(CC#N)cccc4C3)o2)cc1 ZINC000599686309 1115838020 /nfs/dbraw/zinc/83/80/20/1115838020.db2.gz PSMXEBPJNZLNDU-INIZCTEOSA-N 1 2 358.445 4.230 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685600 1115838227 /nfs/dbraw/zinc/83/82/27/1115838227.db2.gz HTVVTUPDZHFJLX-UHFFFAOYSA-N 1 2 361.489 4.181 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685600 1115838229 /nfs/dbraw/zinc/83/82/29/1115838229.db2.gz HTVVTUPDZHFJLX-UHFFFAOYSA-N 1 2 361.489 4.181 20 30 FIEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)C1=O ZINC000539710698 1116368857 /nfs/dbraw/zinc/36/88/57/1116368857.db2.gz WUHFOLMEIDKUKQ-UXHICEINSA-N 1 2 372.871 4.253 20 30 FIEDLO CCc1ccc([C@H](COC)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000541626898 1118587973 /nfs/dbraw/zinc/58/79/73/1118587973.db2.gz HZRQLNSFAPCYCD-KRWDZBQOSA-N 1 2 351.368 4.190 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)cc1F ZINC000541687104 1118606108 /nfs/dbraw/zinc/60/61/08/1118606108.db2.gz QQRNLGZGNYFJGE-CQSZACIVSA-N 1 2 353.372 4.026 20 30 FIEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000542015750 1118746412 /nfs/dbraw/zinc/74/64/12/1118746412.db2.gz ZXKAKRKGLQKEKS-QGZVFWFLSA-N 1 2 373.456 4.021 20 30 FIEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000542015750 1118746415 /nfs/dbraw/zinc/74/64/15/1118746415.db2.gz ZXKAKRKGLQKEKS-QGZVFWFLSA-N 1 2 373.456 4.021 20 30 FIEDLO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccc(Cl)s1 ZINC000184397993 1119606671 /nfs/dbraw/zinc/60/66/71/1119606671.db2.gz SHKZWLGNQHEDOQ-UHFFFAOYSA-N 1 2 362.886 4.287 20 30 FIEDLO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccc(Cl)s1 ZINC000184397993 1119606672 /nfs/dbraw/zinc/60/66/72/1119606672.db2.gz SHKZWLGNQHEDOQ-UHFFFAOYSA-N 1 2 362.886 4.287 20 30 FIEDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(C#N)cc1F ZINC000494273959 1119812067 /nfs/dbraw/zinc/81/20/67/1119812067.db2.gz MDRCBFPTXVNDQP-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(C#N)cc1F ZINC000494273959 1119812071 /nfs/dbraw/zinc/81/20/71/1119812071.db2.gz MDRCBFPTXVNDQP-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccco1 ZINC000191752941 1119994350 /nfs/dbraw/zinc/99/43/50/1119994350.db2.gz YTNTXVHYIUGHGQ-UHFFFAOYSA-N 1 2 363.446 4.202 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000761760648 1120351333 /nfs/dbraw/zinc/35/13/33/1120351333.db2.gz WSSIEROJOJLGSQ-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000761760648 1120351340 /nfs/dbraw/zinc/35/13/40/1120351340.db2.gz WSSIEROJOJLGSQ-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CCO2)c1 ZINC000761764495 1120360290 /nfs/dbraw/zinc/36/02/90/1120360290.db2.gz ALHVWYVYIZKSBG-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CCO2)c1 ZINC000761764495 1120360296 /nfs/dbraw/zinc/36/02/96/1120360296.db2.gz ALHVWYVYIZKSBG-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917006704 1121999287 /nfs/dbraw/zinc/99/92/87/1121999287.db2.gz AWDWIXDRCLKGIL-QGZVFWFLSA-N 1 2 363.486 4.385 20 30 FIEDLO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917006704 1121999290 /nfs/dbraw/zinc/99/92/90/1121999290.db2.gz AWDWIXDRCLKGIL-QGZVFWFLSA-N 1 2 363.486 4.385 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000186284348 1122008135 /nfs/dbraw/zinc/00/81/35/1122008135.db2.gz BOEXMKIXSOYJSN-INIZCTEOSA-N 1 2 362.502 4.047 20 30 FIEDLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000556865156 1123141249 /nfs/dbraw/zinc/14/12/49/1123141249.db2.gz FTFBOLMJRUCFQA-WMLDXEAASA-N 1 2 369.490 4.040 20 30 FIEDLO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000556865156 1123141250 /nfs/dbraw/zinc/14/12/50/1123141250.db2.gz FTFBOLMJRUCFQA-WMLDXEAASA-N 1 2 369.490 4.040 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cccs1 ZINC000499057333 1123179555 /nfs/dbraw/zinc/17/95/55/1123179555.db2.gz UHFGSELWDILLKG-HXUWFJFHSA-N 1 2 354.519 4.272 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cccs1 ZINC000499057333 1123179556 /nfs/dbraw/zinc/17/95/56/1123179556.db2.gz UHFGSELWDILLKG-HXUWFJFHSA-N 1 2 354.519 4.272 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000499063532 1123180041 /nfs/dbraw/zinc/18/00/41/1123180041.db2.gz BMPZPJYSMFGRIW-AWEZNQCLSA-N 1 2 365.930 4.121 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000499063532 1123180045 /nfs/dbraw/zinc/18/00/45/1123180045.db2.gz BMPZPJYSMFGRIW-AWEZNQCLSA-N 1 2 365.930 4.121 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000499063533 1123180269 /nfs/dbraw/zinc/18/02/69/1123180269.db2.gz BMPZPJYSMFGRIW-CQSZACIVSA-N 1 2 365.930 4.121 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000499063533 1123180273 /nfs/dbraw/zinc/18/02/73/1123180273.db2.gz BMPZPJYSMFGRIW-CQSZACIVSA-N 1 2 365.930 4.121 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000237606703 1123996039 /nfs/dbraw/zinc/99/60/39/1123996039.db2.gz UDSDKPQCWIJDJC-HUUCEWRRSA-N 1 2 354.454 4.259 20 30 FIEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245715892 1124217212 /nfs/dbraw/zinc/21/72/12/1124217212.db2.gz CVTGULJJOFFMLN-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245715892 1124217217 /nfs/dbraw/zinc/21/72/17/1124217217.db2.gz CVTGULJJOFFMLN-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000301460934 1124232539 /nfs/dbraw/zinc/23/25/39/1124232539.db2.gz OAQUHHFCJOTVSB-UHFFFAOYSA-N 1 2 354.885 4.359 20 30 FIEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1Cl ZINC000302201135 1124295082 /nfs/dbraw/zinc/29/50/82/1124295082.db2.gz ZIARXCPVQUPUCR-UHFFFAOYSA-N 1 2 362.864 4.214 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000303196041 1124408833 /nfs/dbraw/zinc/40/88/33/1124408833.db2.gz NEHKBIXKCWSUBL-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075642099 1124911538 /nfs/dbraw/zinc/91/15/38/1124911538.db2.gz UFPHYKNBTFFIRZ-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075642099 1124911541 /nfs/dbraw/zinc/91/15/41/1124911541.db2.gz UFPHYKNBTFFIRZ-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000112615134 1125012247 /nfs/dbraw/zinc/01/22/47/1125012247.db2.gz APXKCDOHDDBNKY-OAHLLOKOSA-N 1 2 370.294 4.204 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181759491 1125130845 /nfs/dbraw/zinc/13/08/45/1125130845.db2.gz DTFPOSNVSVOVNG-MNOVXSKESA-N 1 2 363.820 4.238 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022811 1125441162 /nfs/dbraw/zinc/44/11/62/1125441162.db2.gz HQKWQCYXNOOYDY-MJGOQNOKSA-N 1 2 366.427 4.124 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022811 1125441166 /nfs/dbraw/zinc/44/11/66/1125441166.db2.gz HQKWQCYXNOOYDY-MJGOQNOKSA-N 1 2 366.427 4.124 20 30 FIEDLO CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601809850 567845493 /nfs/dbraw/zinc/84/54/93/567845493.db2.gz RLEHEZXFFBKDIB-RHSMWYFYSA-N 1 2 355.825 4.292 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000568684588 568122526 /nfs/dbraw/zinc/12/25/26/568122526.db2.gz XXEIGSVHLJOHOJ-UHFFFAOYSA-N 1 2 370.399 4.216 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000568684588 568122527 /nfs/dbraw/zinc/12/25/27/568122527.db2.gz XXEIGSVHLJOHOJ-UHFFFAOYSA-N 1 2 370.399 4.216 20 30 FIEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000603656332 568133918 /nfs/dbraw/zinc/13/39/18/568133918.db2.gz LXNXSBSNDADFBA-LJQANCHMSA-N 1 2 373.460 4.132 20 30 FIEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C1CC1 ZINC000481894807 568160763 /nfs/dbraw/zinc/16/07/63/568160763.db2.gz NRUCCZLSZLECDX-UHFFFAOYSA-N 1 2 374.488 4.094 20 30 FIEDLO C=CCOC[C@@H]1CCC[C@]12C[N@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979614 722169984 /nfs/dbraw/zinc/16/99/84/722169984.db2.gz UWGWLKFOKKGDHB-PXNSSMCTSA-N 1 2 364.917 4.044 20 30 FIEDLO C=CCOC[C@@H]1CCC[C@]12C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979614 722169985 /nfs/dbraw/zinc/16/99/85/722169985.db2.gz UWGWLKFOKKGDHB-PXNSSMCTSA-N 1 2 364.917 4.044 20 30 FIEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)ccc1Br ZINC000619532039 1125609151 /nfs/dbraw/zinc/60/91/51/1125609151.db2.gz FLACMCPPPKGGKW-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)ccc1Br ZINC000619532039 1125609154 /nfs/dbraw/zinc/60/91/54/1125609154.db2.gz FLACMCPPPKGGKW-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619847267 1125714417 /nfs/dbraw/zinc/71/44/17/1125714417.db2.gz LDLKVNJQWUNGNQ-NRFANRHFSA-N 1 2 364.880 4.204 20 30 FIEDLO C[N@@H+]1[C@@H](c2nc(-c3cccc(C#N)c3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348743 1125739980 /nfs/dbraw/zinc/73/99/80/1125739980.db2.gz LZYXRAXECJQVJD-ZWCUEREDSA-N 1 2 372.428 4.125 20 30 FIEDLO C[N@H+]1[C@@H](c2nc(-c3cccc(C#N)c3)no2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001212348743 1125739983 /nfs/dbraw/zinc/73/99/83/1125739983.db2.gz LZYXRAXECJQVJD-ZWCUEREDSA-N 1 2 372.428 4.125 20 30 FIEDLO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)cc(F)c1O ZINC000799725048 1079653213 /nfs/dbraw/zinc/65/32/13/1079653213.db2.gz CMDZBUYEXOZLAP-VOMCLLRMSA-N 1 2 355.251 4.274 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cccc(C#N)c1 ZINC000063300731 1080244391 /nfs/dbraw/zinc/24/43/91/1080244391.db2.gz LCPXIHIISADCGN-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cccc(C#N)c1 ZINC000063300731 1080244400 /nfs/dbraw/zinc/24/44/00/1080244400.db2.gz LCPXIHIISADCGN-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CCCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001209442150 1080700986 /nfs/dbraw/zinc/70/09/86/1080700986.db2.gz URHYJQLQMKSTIK-HXUWFJFHSA-N 1 2 360.546 4.026 20 30 FIEDLO C=CCCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001209442150 1080700988 /nfs/dbraw/zinc/70/09/88/1080700988.db2.gz URHYJQLQMKSTIK-HXUWFJFHSA-N 1 2 360.546 4.026 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)c(C#N)c1C ZINC000510210007 1080777921 /nfs/dbraw/zinc/77/79/21/1080777921.db2.gz JILVWSYEHDXXKP-UHFFFAOYSA-N 1 2 371.868 4.272 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)c(C#N)c1C ZINC000510210007 1080777927 /nfs/dbraw/zinc/77/79/27/1080777927.db2.gz JILVWSYEHDXXKP-UHFFFAOYSA-N 1 2 371.868 4.272 20 30 FIEDLO CCCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000610484992 1082359051 /nfs/dbraw/zinc/35/90/51/1082359051.db2.gz AKNPGGWTMNGZJA-KRWDZBQOSA-N 1 2 374.506 4.097 20 30 FIEDLO CCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000610484992 1082359056 /nfs/dbraw/zinc/35/90/56/1082359056.db2.gz AKNPGGWTMNGZJA-KRWDZBQOSA-N 1 2 374.506 4.097 20 30 FIEDLO Cc1cc2c(s1)N(c1ccc(OCC#N)cn1)c1ccccc1NC2=[NH2+] ZINC001167463313 1082579939 /nfs/dbraw/zinc/57/99/39/1082579939.db2.gz KKPKRPJZQHZOHX-UHFFFAOYSA-N 1 2 361.430 4.174 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(OC)cc1 ZINC000054272088 1082606018 /nfs/dbraw/zinc/60/60/18/1082606018.db2.gz XBYGDPCBXQYVMS-UHFFFAOYSA-N 1 2 352.478 4.247 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(OC)cc1 ZINC000054272088 1082606024 /nfs/dbraw/zinc/60/60/24/1082606024.db2.gz XBYGDPCBXQYVMS-UHFFFAOYSA-N 1 2 352.478 4.247 20 30 FIEDLO CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@H](C)C#N ZINC000091983698 1083353033 /nfs/dbraw/zinc/35/30/33/1083353033.db2.gz VYUXGQKXTUVDOI-QGZVFWFLSA-N 1 2 368.477 4.264 20 30 FIEDLO CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@H](C)C#N ZINC000091983698 1083353035 /nfs/dbraw/zinc/35/30/35/1083353035.db2.gz VYUXGQKXTUVDOI-QGZVFWFLSA-N 1 2 368.477 4.264 20 30 FIEDLO N#Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F ZINC000610719327 1083354305 /nfs/dbraw/zinc/35/43/05/1083354305.db2.gz PWHCNBCPXFXZCY-RYUDHWBXSA-N 1 2 354.269 4.260 20 30 FIEDLO Cc1c(C#N)cccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000511324536 1083557611 /nfs/dbraw/zinc/55/76/11/1083557611.db2.gz QJEYCNAXLAEQAQ-UHFFFAOYSA-N 1 2 356.429 4.319 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@](C)(C#N)C3)c2)cc1 ZINC000612407125 1083780834 /nfs/dbraw/zinc/78/08/34/1083780834.db2.gz ZDSXJXMIPUJMKI-JOCHJYFZSA-N 1 2 363.461 4.073 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@](C)(C#N)C3)c2)cc1 ZINC000612407125 1083780846 /nfs/dbraw/zinc/78/08/46/1083780846.db2.gz ZDSXJXMIPUJMKI-JOCHJYFZSA-N 1 2 363.461 4.073 20 30 FIEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610943812 1083859932 /nfs/dbraw/zinc/85/99/32/1083859932.db2.gz KLGVDKBZTAUSNJ-AWEZNQCLSA-N 1 2 371.506 4.331 20 30 FIEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610943812 1083859941 /nfs/dbraw/zinc/85/99/41/1083859941.db2.gz KLGVDKBZTAUSNJ-AWEZNQCLSA-N 1 2 371.506 4.331 20 30 FIEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)OCC ZINC000535896859 1083930622 /nfs/dbraw/zinc/93/06/22/1083930622.db2.gz PAAWTVADSCJKFF-IBGZPJMESA-N 1 2 353.466 4.196 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000610994887 1083946388 /nfs/dbraw/zinc/94/63/88/1083946388.db2.gz ZKZBNXWUGQMULM-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000610994887 1083946391 /nfs/dbraw/zinc/94/63/91/1083946391.db2.gz ZKZBNXWUGQMULM-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccco1 ZINC000151122808 1083963609 /nfs/dbraw/zinc/96/36/09/1083963609.db2.gz KSGLOWYYHRMPOO-AOMKIAJQSA-N 1 2 362.429 4.458 20 30 FIEDLO C=CC[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccs1 ZINC000613341099 1084617954 /nfs/dbraw/zinc/61/79/54/1084617954.db2.gz WFFFPBPRFSFGMA-UHFFFAOYSA-N 1 2 362.296 4.347 20 30 FIEDLO C=CC[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1cccs1 ZINC000613341099 1084617961 /nfs/dbraw/zinc/61/79/61/1084617961.db2.gz WFFFPBPRFSFGMA-UHFFFAOYSA-N 1 2 362.296 4.347 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000173484341 1084638021 /nfs/dbraw/zinc/63/80/21/1084638021.db2.gz PKFMZNXEVALMMU-QGZVFWFLSA-N 1 2 369.490 4.451 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000173484341 1084638027 /nfs/dbraw/zinc/63/80/27/1084638027.db2.gz PKFMZNXEVALMMU-QGZVFWFLSA-N 1 2 369.490 4.451 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000186284369 1085063642 /nfs/dbraw/zinc/06/36/42/1085063642.db2.gz BOEXMKIXSOYJSN-MRXNPFEDSA-N 1 2 362.502 4.047 20 30 FIEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)ccc1OC(F)F ZINC000255519205 1085375849 /nfs/dbraw/zinc/37/58/49/1085375849.db2.gz XCQOQNGHDXFNPU-SREVYHEPSA-N 1 2 358.344 4.149 20 30 FIEDLO N#CC[C@@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000582691151 1085383475 /nfs/dbraw/zinc/38/34/75/1085383475.db2.gz QBEJDTGFEWUAHJ-IBGZPJMESA-N 1 2 369.428 4.221 20 30 FIEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1CCc1cccs1 ZINC000661149370 1085420274 /nfs/dbraw/zinc/42/02/74/1085420274.db2.gz AMGCHNKZSDMFSY-GOSISDBHSA-N 1 2 369.534 4.218 20 30 FIEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1CCc1cccs1 ZINC000661149370 1085420286 /nfs/dbraw/zinc/42/02/86/1085420286.db2.gz AMGCHNKZSDMFSY-GOSISDBHSA-N 1 2 369.534 4.218 20 30 FIEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661418830 1085559241 /nfs/dbraw/zinc/55/92/41/1085559241.db2.gz LYZVIVJTEJSRDO-FXAWDEMLSA-N 1 2 370.541 4.243 20 30 FIEDLO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529407 1085727763 /nfs/dbraw/zinc/72/77/63/1085727763.db2.gz ISPJBIXHFVAUSF-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529407 1085727776 /nfs/dbraw/zinc/72/77/76/1085727776.db2.gz ISPJBIXHFVAUSF-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728564338 1086615001 /nfs/dbraw/zinc/61/50/01/1086615001.db2.gz YNJZSGVJXAWWDM-KRWDZBQOSA-N 1 2 370.522 4.108 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728564338 1086615008 /nfs/dbraw/zinc/61/50/08/1086615008.db2.gz YNJZSGVJXAWWDM-KRWDZBQOSA-N 1 2 370.522 4.108 20 30 FIEDLO CC(C)[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000583474936 1086717536 /nfs/dbraw/zinc/71/75/36/1086717536.db2.gz NULLTJASOUKHPL-UHFFFAOYSA-N 1 2 365.193 4.472 20 30 FIEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000583474936 1086717539 /nfs/dbraw/zinc/71/75/39/1086717539.db2.gz NULLTJASOUKHPL-UHFFFAOYSA-N 1 2 365.193 4.472 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804073 1087168757 /nfs/dbraw/zinc/16/87/57/1087168757.db2.gz FNYHGNAWPBSZPU-MLGOLLRUSA-N 1 2 371.531 4.334 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804073 1087168760 /nfs/dbraw/zinc/16/87/60/1087168760.db2.gz FNYHGNAWPBSZPU-MLGOLLRUSA-N 1 2 371.531 4.334 20 30 FIEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C ZINC000177298178 1088271556 /nfs/dbraw/zinc/27/15/56/1088271556.db2.gz VBBUBCKNHDJUKX-UHFFFAOYSA-N 1 2 354.881 4.269 20 30 FIEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C ZINC000177298178 1088271571 /nfs/dbraw/zinc/27/15/71/1088271571.db2.gz VBBUBCKNHDJUKX-UHFFFAOYSA-N 1 2 354.881 4.269 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513996209 1088601122 /nfs/dbraw/zinc/60/11/22/1088601122.db2.gz GABWCQIQWLIRTB-JXFKEZNVSA-N 1 2 354.881 4.173 20 30 FIEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000434713413 1088958331 /nfs/dbraw/zinc/95/83/31/1088958331.db2.gz HGTHOIPVJFTDNB-CYBMUJFWSA-N 1 2 371.506 4.249 20 30 FIEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000434713413 1088958332 /nfs/dbraw/zinc/95/83/32/1088958332.db2.gz HGTHOIPVJFTDNB-CYBMUJFWSA-N 1 2 371.506 4.249 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000181603819 1090409681 /nfs/dbraw/zinc/40/96/81/1090409681.db2.gz UNVNCPYKZBUXHA-LBPRGKRZSA-N 1 2 372.350 4.478 20 30 FIEDLO C=CCc1cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc(OC)c1O ZINC000278825968 1090447022 /nfs/dbraw/zinc/44/70/22/1090447022.db2.gz ULMUAXKXTMGKMR-JTQLQIEISA-N 1 2 372.412 4.455 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458810995 1091676783 /nfs/dbraw/zinc/67/67/83/1091676783.db2.gz NTZKYYCQYUFTPQ-OALUTQOASA-N 1 2 352.482 4.013 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1OC(F)F ZINC000660535263 1091724935 /nfs/dbraw/zinc/72/49/35/1091724935.db2.gz AJHGLIXVICLPMD-UHFFFAOYSA-N 1 2 355.356 4.091 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1OC(F)F ZINC000660535263 1091724948 /nfs/dbraw/zinc/72/49/48/1091724948.db2.gz AJHGLIXVICLPMD-UHFFFAOYSA-N 1 2 355.356 4.091 20 30 FIEDLO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512375416 1092182915 /nfs/dbraw/zinc/18/29/15/1092182915.db2.gz RLJHWMQDQCQCGB-UHFFFAOYSA-N 1 2 356.813 4.084 20 30 FIEDLO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512375416 1092182918 /nfs/dbraw/zinc/18/29/18/1092182918.db2.gz RLJHWMQDQCQCGB-UHFFFAOYSA-N 1 2 356.813 4.084 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000512427697 1092309719 /nfs/dbraw/zinc/30/97/19/1092309719.db2.gz NCCYOBLELFJVAH-SFHVURJKSA-N 1 2 370.493 4.102 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000512427697 1092309727 /nfs/dbraw/zinc/30/97/27/1092309727.db2.gz NCCYOBLELFJVAH-SFHVURJKSA-N 1 2 370.493 4.102 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000512505670 1092597005 /nfs/dbraw/zinc/59/70/05/1092597005.db2.gz ADOVDTQWGISRHP-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000512505670 1092597015 /nfs/dbraw/zinc/59/70/15/1092597015.db2.gz ADOVDTQWGISRHP-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000521457422 1092695987 /nfs/dbraw/zinc/69/59/87/1092695987.db2.gz SKHIDEVIDATXQV-AWEZNQCLSA-N 1 2 357.841 4.353 20 30 FIEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000549739483 1092736205 /nfs/dbraw/zinc/73/62/05/1092736205.db2.gz BYMNDKUROBTSGX-IAGOWNOFSA-N 1 2 369.509 4.364 20 30 FIEDLO C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc(C#N)c1 ZINC000614178689 1093062478 /nfs/dbraw/zinc/06/24/78/1093062478.db2.gz AOBXFGWEVWGCNZ-LLVKDONJSA-N 1 2 355.239 4.048 20 30 FIEDLO COc1ccc(-c2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)no2)cc1 ZINC000433021469 1093112623 /nfs/dbraw/zinc/11/26/23/1093112623.db2.gz XEPJORLVISWESA-LJQANCHMSA-N 1 2 362.433 4.270 20 30 FIEDLO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000126200799 1093247712 /nfs/dbraw/zinc/24/77/12/1093247712.db2.gz GHRDPIJXXPKHJW-UHFFFAOYSA-N 1 2 355.511 4.027 20 30 FIEDLO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000126200799 1093247721 /nfs/dbraw/zinc/24/77/21/1093247721.db2.gz GHRDPIJXXPKHJW-UHFFFAOYSA-N 1 2 355.511 4.027 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3ncc(C)s3)CC2)c1C ZINC000433145040 1093336728 /nfs/dbraw/zinc/33/67/28/1093336728.db2.gz FGEQRXMLDOIGLX-UHFFFAOYSA-N 1 2 357.523 4.118 20 30 FIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000509807722 1093419527 /nfs/dbraw/zinc/41/95/27/1093419527.db2.gz POSCGOAUAOOWRE-ZWNOBZJWSA-N 1 2 354.294 4.150 20 30 FIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000509807722 1093419531 /nfs/dbraw/zinc/41/95/31/1093419531.db2.gz POSCGOAUAOOWRE-ZWNOBZJWSA-N 1 2 354.294 4.150 20 30 FIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509812855 1093423576 /nfs/dbraw/zinc/42/35/76/1093423576.db2.gz OEXUSZYYZYAILL-GOSISDBHSA-N 1 2 374.488 4.198 20 30 FIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509812855 1093423581 /nfs/dbraw/zinc/42/35/81/1093423581.db2.gz OEXUSZYYZYAILL-GOSISDBHSA-N 1 2 374.488 4.198 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(F)c1F ZINC001141805572 1093526825 /nfs/dbraw/zinc/52/68/25/1093526825.db2.gz UAZNXTRLRMCYFB-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(F)c1F ZINC001141805572 1093526831 /nfs/dbraw/zinc/52/68/31/1093526831.db2.gz UAZNXTRLRMCYFB-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428293344 1093639218 /nfs/dbraw/zinc/63/92/18/1093639218.db2.gz AZRQHTINJAISCS-HXUWFJFHSA-N 1 2 354.425 4.178 20 30 FIEDLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000120659382 1093967933 /nfs/dbraw/zinc/96/79/33/1093967933.db2.gz CAYSHCRTNQMVNF-UHFFFAOYSA-N 1 2 371.868 4.069 20 30 FIEDLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000120659382 1093967936 /nfs/dbraw/zinc/96/79/36/1093967936.db2.gz CAYSHCRTNQMVNF-UHFFFAOYSA-N 1 2 371.868 4.069 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430016136 1094188032 /nfs/dbraw/zinc/18/80/32/1094188032.db2.gz OVSCGYBWBCCNGD-UHFFFAOYSA-N 1 2 351.475 4.402 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430016136 1094188035 /nfs/dbraw/zinc/18/80/35/1094188035.db2.gz OVSCGYBWBCCNGD-UHFFFAOYSA-N 1 2 351.475 4.402 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000163122957 1094277535 /nfs/dbraw/zinc/27/75/35/1094277535.db2.gz SHLQGYDRVRXNSZ-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000163122957 1094277541 /nfs/dbraw/zinc/27/75/41/1094277541.db2.gz SHLQGYDRVRXNSZ-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCOCCSc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000419509609 1094483133 /nfs/dbraw/zinc/48/31/33/1094483133.db2.gz UGDLBQNWPRPVCI-UHFFFAOYSA-N 1 2 363.552 4.199 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019284 1094714601 /nfs/dbraw/zinc/71/46/01/1094714601.db2.gz HIQDPNFWWYNTRD-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019284 1094714618 /nfs/dbraw/zinc/71/46/18/1094714618.db2.gz HIQDPNFWWYNTRD-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO [O-]C(=[NH+]C1CCC(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329289391 1094819362 /nfs/dbraw/zinc/81/93/62/1094819362.db2.gz IAMIAAVDPALIRV-LYBXBRPPSA-N 1 2 370.472 4.127 20 30 FIEDLO O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329289391 1094819364 /nfs/dbraw/zinc/81/93/64/1094819364.db2.gz IAMIAAVDPALIRV-LYBXBRPPSA-N 1 2 370.472 4.127 20 30 FIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1Cl ZINC000474897562 1094879453 /nfs/dbraw/zinc/87/94/53/1094879453.db2.gz HSWLVXYZBUZNNK-SFHVURJKSA-N 1 2 364.836 4.290 20 30 FIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1Cl ZINC000474897562 1094879465 /nfs/dbraw/zinc/87/94/65/1094879465.db2.gz HSWLVXYZBUZNNK-SFHVURJKSA-N 1 2 364.836 4.290 20 30 FIEDLO C[C@H]1SCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]1C ZINC000329630250 1095031504 /nfs/dbraw/zinc/03/15/04/1095031504.db2.gz QRSNKKYLWDAHQA-HUUCEWRRSA-N 1 2 370.522 4.258 20 30 FIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000513732151 1095152560 /nfs/dbraw/zinc/15/25/60/1095152560.db2.gz BMLDLSYPLIRNHZ-ZWNOBZJWSA-N 1 2 354.294 4.293 20 30 FIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000513732151 1095152566 /nfs/dbraw/zinc/15/25/66/1095152566.db2.gz BMLDLSYPLIRNHZ-ZWNOBZJWSA-N 1 2 354.294 4.293 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000329772094 1095260734 /nfs/dbraw/zinc/26/07/34/1095260734.db2.gz HEKCQOYUBOYJAD-MRXNPFEDSA-N 1 2 367.493 4.114 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000329772094 1095260746 /nfs/dbraw/zinc/26/07/46/1095260746.db2.gz HEKCQOYUBOYJAD-MRXNPFEDSA-N 1 2 367.493 4.114 20 30 FIEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CCC[C@@H](C)C3)c2)CC1 ZINC000329951070 1095326325 /nfs/dbraw/zinc/32/63/25/1095326325.db2.gz ICJSCXAYDPBTOZ-MJGOQNOKSA-N 1 2 371.525 4.155 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000330184380 1095407491 /nfs/dbraw/zinc/40/74/91/1095407491.db2.gz QQNCYCSYIZMBHI-CHWSQXEVSA-N 1 2 372.485 4.279 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000330184380 1095407504 /nfs/dbraw/zinc/40/75/04/1095407504.db2.gz QQNCYCSYIZMBHI-CHWSQXEVSA-N 1 2 372.485 4.279 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000330283241 1095449096 /nfs/dbraw/zinc/44/90/96/1095449096.db2.gz BFAOOQHHWXGZIF-YSIGMKLFSA-N 1 2 357.498 4.203 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000016420620 1095635944 /nfs/dbraw/zinc/63/59/44/1095635944.db2.gz ZEKVGXIJCXQHGP-QGZVFWFLSA-N 1 2 367.518 4.231 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)c1 ZINC000016420620 1095635950 /nfs/dbraw/zinc/63/59/50/1095635950.db2.gz ZEKVGXIJCXQHGP-QGZVFWFLSA-N 1 2 367.518 4.231 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533353898 1098989685 /nfs/dbraw/zinc/98/96/85/1098989685.db2.gz NVUJYPYSYFCBLT-QAPCUYQASA-N 1 2 368.506 4.185 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533353898 1098989686 /nfs/dbraw/zinc/98/96/86/1098989686.db2.gz NVUJYPYSYFCBLT-QAPCUYQASA-N 1 2 368.506 4.185 20 30 FIEDLO C=C(C)[C@@H](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)OCC ZINC000425569017 1099063435 /nfs/dbraw/zinc/06/34/35/1099063435.db2.gz KBYZHHYFSPWACT-LJQANCHMSA-N 1 2 353.466 4.196 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccco2)ccc1Cl ZINC000161724329 1099529906 /nfs/dbraw/zinc/52/99/06/1099529906.db2.gz ZORJOQKIAQJXAW-OAHLLOKOSA-N 1 2 359.857 4.181 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccco2)ccc1Cl ZINC000161724329 1099529919 /nfs/dbraw/zinc/52/99/19/1099529919.db2.gz ZORJOQKIAQJXAW-OAHLLOKOSA-N 1 2 359.857 4.181 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000506052005 1099932660 /nfs/dbraw/zinc/93/26/60/1099932660.db2.gz PVBRZPJKACGARY-UHFFFAOYSA-N 1 2 355.869 4.440 20 30 FIEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668943 1100149803 /nfs/dbraw/zinc/14/98/03/1100149803.db2.gz SZCLMBCRQSTZHN-GOTSBHOMSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668943 1100149815 /nfs/dbraw/zinc/14/98/15/1100149815.db2.gz SZCLMBCRQSTZHN-GOTSBHOMSA-N 1 2 356.473 4.453 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506136306 1100217867 /nfs/dbraw/zinc/21/78/67/1100217867.db2.gz QXQZJLDEVXJFGU-HSZRJFAPSA-N 1 2 369.468 4.048 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506136306 1100217876 /nfs/dbraw/zinc/21/78/76/1100217876.db2.gz QXQZJLDEVXJFGU-HSZRJFAPSA-N 1 2 369.468 4.048 20 30 FIEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1C#N ZINC000459620414 1100351210 /nfs/dbraw/zinc/35/12/10/1100351210.db2.gz KLTJJINATPGGHW-FQEVSTJZSA-N 1 2 363.440 4.153 20 30 FIEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1C#N ZINC000459620414 1100351219 /nfs/dbraw/zinc/35/12/19/1100351219.db2.gz KLTJJINATPGGHW-FQEVSTJZSA-N 1 2 363.440 4.153 20 30 FIEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000459652959 1100394725 /nfs/dbraw/zinc/39/47/25/1100394725.db2.gz ANIWKIODTVUBDY-ZDUSSCGKSA-N 1 2 359.267 4.489 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125154 1100445506 /nfs/dbraw/zinc/44/55/06/1100445506.db2.gz WRBGWLFXZGVPHH-PKTZIBPZSA-N 1 2 374.463 4.342 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125154 1100445511 /nfs/dbraw/zinc/44/55/11/1100445511.db2.gz WRBGWLFXZGVPHH-PKTZIBPZSA-N 1 2 374.463 4.342 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125153 1100445525 /nfs/dbraw/zinc/44/55/25/1100445525.db2.gz WRBGWLFXZGVPHH-GOTSBHOMSA-N 1 2 374.463 4.342 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125153 1100445533 /nfs/dbraw/zinc/44/55/33/1100445533.db2.gz WRBGWLFXZGVPHH-GOTSBHOMSA-N 1 2 374.463 4.342 20 30 FIEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2CCCc2ccccc2)n1 ZINC000518021877 1100869773 /nfs/dbraw/zinc/86/97/73/1100869773.db2.gz DQLZRUYUWQGWTP-UHFFFAOYSA-N 1 2 373.485 4.031 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918648 1101325179 /nfs/dbraw/zinc/32/51/79/1101325179.db2.gz ZTAYDPOLVKYRTN-RTBURBONSA-N 1 2 364.892 4.499 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918648 1101325194 /nfs/dbraw/zinc/32/51/94/1101325194.db2.gz ZTAYDPOLVKYRTN-RTBURBONSA-N 1 2 364.892 4.499 20 30 FIEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1F ZINC000536995339 1101375773 /nfs/dbraw/zinc/37/57/73/1101375773.db2.gz CSVQINLOWNALST-UHFFFAOYSA-N 1 2 358.363 4.070 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000537039338 1101398505 /nfs/dbraw/zinc/39/85/05/1101398505.db2.gz MUDIGPDSRZAYQS-WMZOPIPTSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000537039338 1101398513 /nfs/dbraw/zinc/39/85/13/1101398513.db2.gz MUDIGPDSRZAYQS-WMZOPIPTSA-N 1 2 365.235 4.094 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1cccs1 ZINC000050274360 1101692294 /nfs/dbraw/zinc/69/22/94/1101692294.db2.gz LVXPBOGJRNWVGU-UHFFFAOYSA-N 1 2 354.928 4.110 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1cccs1 ZINC000050274360 1101692308 /nfs/dbraw/zinc/69/23/08/1101692308.db2.gz LVXPBOGJRNWVGU-UHFFFAOYSA-N 1 2 354.928 4.110 20 30 FIEDLO N=C(Nc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1)c1nccs1 ZINC001168280799 1101924188 /nfs/dbraw/zinc/92/41/88/1101924188.db2.gz QSIXSGLMQZPSKC-UHFFFAOYSA-N 1 2 353.838 4.148 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000237874544 1102201447 /nfs/dbraw/zinc/20/14/47/1102201447.db2.gz HGKPDYCPBJVFSJ-QFIPXVFZSA-N 1 2 352.441 4.324 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)c1 ZINC000104715301 1102368071 /nfs/dbraw/zinc/36/80/71/1102368071.db2.gz DVHRXHXQBWJXOE-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO N#CCCCOc1cccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000121379365 1102372612 /nfs/dbraw/zinc/37/26/12/1102372612.db2.gz FGMNYAITTAVBSV-UHFFFAOYSA-N 1 2 350.397 4.306 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760540133 1102968502 /nfs/dbraw/zinc/96/85/02/1102968502.db2.gz ZXBGNNIGHWQUTA-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760540133 1102968503 /nfs/dbraw/zinc/96/85/03/1102968503.db2.gz ZXBGNNIGHWQUTA-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO N#Cc1c(Cl)cc(Br)cc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167991533 1104391616 /nfs/dbraw/zinc/39/16/16/1104391616.db2.gz JONHYBYTEVHQQQ-UHFFFAOYSA-N 1 2 367.609 4.145 20 30 FIEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1coc(C2CCCC2)n1 ZINC000328810971 1104560377 /nfs/dbraw/zinc/56/03/77/1104560377.db2.gz OLIBAUPKQTVJSX-UHFFFAOYSA-N 1 2 369.465 4.109 20 30 FIEDLO CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000330775760 1104671814 /nfs/dbraw/zinc/67/18/14/1104671814.db2.gz IABRLEHTJPDDIZ-NRFANRHFSA-N 1 2 355.526 4.249 20 30 FIEDLO Cc1cc(C)c(NC(=O)N(C)Cc2ccc(Br)o2)c(C)[nH+]1 ZINC000331293012 1104714391 /nfs/dbraw/zinc/71/43/91/1104714391.db2.gz BUUDHFIVAMPCET-UHFFFAOYSA-N 1 2 352.232 4.040 20 30 FIEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(Cl)cc1 ZINC000193066382 1107143346 /nfs/dbraw/zinc/14/33/46/1107143346.db2.gz WDZVQIRZBVPYTG-UHFFFAOYSA-N 1 2 357.870 4.054 20 30 FIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000428348604 1107399806 /nfs/dbraw/zinc/39/98/06/1107399806.db2.gz MVPLRIZHMWMPAQ-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000428348604 1107399821 /nfs/dbraw/zinc/39/98/21/1107399821.db2.gz MVPLRIZHMWMPAQ-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(F)c1Br ZINC000453047775 1108106785 /nfs/dbraw/zinc/10/67/85/1108106785.db2.gz KSBCGTAVMPMKQB-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OCCCC#N ZINC000447094715 1109441531 /nfs/dbraw/zinc/44/15/31/1109441531.db2.gz VBUYQPNFLUEWNX-UHFFFAOYSA-N 1 2 370.497 4.030 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OCCCC#N ZINC000447094715 1109441533 /nfs/dbraw/zinc/44/15/33/1109441533.db2.gz VBUYQPNFLUEWNX-UHFFFAOYSA-N 1 2 370.497 4.030 20 30 FIEDLO CC(C)c1ccc2ncc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000447684226 1109626327 /nfs/dbraw/zinc/62/63/27/1109626327.db2.gz YIFYYTJQHKDQGN-UHFFFAOYSA-N 1 2 371.488 4.259 20 30 FIEDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428494504 1109641660 /nfs/dbraw/zinc/64/16/60/1109641660.db2.gz MCAFSISQNOBHGO-LLVKDONJSA-N 1 2 363.230 4.319 20 30 FIEDLO COCC[N@H+](Cc1nc2cc(C)ccc2s1)Cc1ccc(C#N)cc1 ZINC000528362321 1109975598 /nfs/dbraw/zinc/97/55/98/1109975598.db2.gz FGVUPCSVKFAIMN-UHFFFAOYSA-N 1 2 351.475 4.125 20 30 FIEDLO COCC[N@@H+](Cc1nc2cc(C)ccc2s1)Cc1ccc(C#N)cc1 ZINC000528362321 1109975601 /nfs/dbraw/zinc/97/56/01/1109975601.db2.gz FGVUPCSVKFAIMN-UHFFFAOYSA-N 1 2 351.475 4.125 20 30 FIEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OCc1ccccc1 ZINC000538723890 1111274631 /nfs/dbraw/zinc/27/46/31/1111274631.db2.gz FQAGZSQLKAKWPZ-KRWDZBQOSA-N 1 2 350.462 4.398 20 30 FIEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OCc1ccccc1 ZINC000538723890 1111274637 /nfs/dbraw/zinc/27/46/37/1111274637.db2.gz FQAGZSQLKAKWPZ-KRWDZBQOSA-N 1 2 350.462 4.398 20 30 FIEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000538725066 1111275727 /nfs/dbraw/zinc/27/57/27/1111275727.db2.gz SNTMTHRSGYQVPQ-MOPGFXCFSA-N 1 2 354.523 4.261 20 30 FIEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000538725066 1111275733 /nfs/dbraw/zinc/27/57/33/1111275733.db2.gz SNTMTHRSGYQVPQ-MOPGFXCFSA-N 1 2 354.523 4.261 20 30 FIEDLO C=C(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000478906688 1111914684 /nfs/dbraw/zinc/91/46/84/1111914684.db2.gz BGNBWQVRVVQMBD-LJQANCHMSA-N 1 2 353.372 4.198 20 30 FIEDLO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000554264567 1112272434 /nfs/dbraw/zinc/27/24/34/1112272434.db2.gz ZBGOQJYOPCFGDD-HNNXBMFYSA-N 1 2 360.417 4.037 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622042 1112513466 /nfs/dbraw/zinc/51/34/66/1112513466.db2.gz VMSGQQRMHIZAHV-MSOLQXFVSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622042 1112513472 /nfs/dbraw/zinc/51/34/72/1112513472.db2.gz VMSGQQRMHIZAHV-MSOLQXFVSA-N 1 2 364.892 4.477 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000480900509 1112655349 /nfs/dbraw/zinc/65/53/49/1112655349.db2.gz RBTVRDBRFQCQBV-UHFFFAOYSA-N 1 2 358.894 4.337 20 30 FIEDLO N#CCCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000160366578 1113357704 /nfs/dbraw/zinc/35/77/04/1113357704.db2.gz DGMRUKNBUHXOJI-UHFFFAOYSA-N 1 2 355.511 4.039 20 30 FIEDLO CCC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000486823326 1113657391 /nfs/dbraw/zinc/65/73/91/1113657391.db2.gz WTHCHKZMPMNJIZ-UHFFFAOYSA-N 1 2 364.424 4.083 20 30 FIEDLO CCC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000486823326 1113657394 /nfs/dbraw/zinc/65/73/94/1113657394.db2.gz WTHCHKZMPMNJIZ-UHFFFAOYSA-N 1 2 364.424 4.083 20 30 FIEDLO C=CC[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000488318275 1113907207 /nfs/dbraw/zinc/90/72/07/1113907207.db2.gz XGTSNSMDKOQQEI-AVRDEDQJSA-N 1 2 364.489 4.378 20 30 FIEDLO C=CCC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000488615235 1113964081 /nfs/dbraw/zinc/96/40/81/1113964081.db2.gz ATCSPDRPDLUZHI-NRFANRHFSA-N 1 2 363.505 4.438 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000489401308 1114102375 /nfs/dbraw/zinc/10/23/75/1114102375.db2.gz JBJGHNPXMFRZOX-SFHVURJKSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000489401308 1114102377 /nfs/dbraw/zinc/10/23/77/1114102377.db2.gz JBJGHNPXMFRZOX-SFHVURJKSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000489450129 1114114561 /nfs/dbraw/zinc/11/45/61/1114114561.db2.gz POOOMXAVSGNSFC-NVXWUHKLSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000489450129 1114114563 /nfs/dbraw/zinc/11/45/63/1114114563.db2.gz POOOMXAVSGNSFC-NVXWUHKLSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000489465440 1114115226 /nfs/dbraw/zinc/11/52/26/1114115226.db2.gz UDWZZQBXBVVUMI-NSHDSACASA-N 1 2 354.273 4.101 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000489465440 1114115228 /nfs/dbraw/zinc/11/52/28/1114115228.db2.gz UDWZZQBXBVVUMI-NSHDSACASA-N 1 2 354.273 4.101 20 30 FIEDLO CCC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490074326 1114213508 /nfs/dbraw/zinc/21/35/08/1114213508.db2.gz UPKXDCSIUFQVDH-SFHVURJKSA-N 1 2 374.488 4.359 20 30 FIEDLO CCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490074326 1114213509 /nfs/dbraw/zinc/21/35/09/1114213509.db2.gz UPKXDCSIUFQVDH-SFHVURJKSA-N 1 2 374.488 4.359 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000029530074 1114316326 /nfs/dbraw/zinc/31/63/26/1114316326.db2.gz PZVQVXMEEIZNNE-CQSZACIVSA-N 1 2 370.840 4.003 20 30 FIEDLO Cc1ccc2[nH+]cc(/C=C3/S/C(=N\c4c(C)cccc4C)NC3=O)n2c1 ZINC000151384557 1114355706 /nfs/dbraw/zinc/35/57/06/1114355706.db2.gz JONWCVYUMXMDIE-CXUHLZMHSA-N 1 2 362.458 4.151 20 30 FIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000589984362 1114875140 /nfs/dbraw/zinc/87/51/40/1114875140.db2.gz RKTAAZIDMYWOBM-UHFFFAOYSA-N 1 2 362.408 4.127 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccccc1 ZINC000572985420 1114941009 /nfs/dbraw/zinc/94/10/09/1114941009.db2.gz YJUIDLZRONAKGC-UHFFFAOYSA-N 1 2 366.509 4.090 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccccc1 ZINC000572985420 1114941010 /nfs/dbraw/zinc/94/10/10/1114941010.db2.gz YJUIDLZRONAKGC-UHFFFAOYSA-N 1 2 366.509 4.090 20 30 FIEDLO N#Cc1cnc2c(Cl)cccc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000591891669 1115169655 /nfs/dbraw/zinc/16/96/55/1115169655.db2.gz BVRBMFMFYJYAFD-UHFFFAOYSA-N 1 2 363.852 4.367 20 30 FIEDLO N#CCC1(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CC1 ZINC000594881918 1115484942 /nfs/dbraw/zinc/48/49/42/1115484942.db2.gz LPGRQPBNXZPZAP-UHFFFAOYSA-N 1 2 367.522 4.039 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000059423226 1115511283 /nfs/dbraw/zinc/51/12/83/1115511283.db2.gz UQLDKDMXJCTSTD-MRXNPFEDSA-N 1 2 372.896 4.214 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000059423226 1115511284 /nfs/dbraw/zinc/51/12/84/1115511284.db2.gz UQLDKDMXJCTSTD-MRXNPFEDSA-N 1 2 372.896 4.214 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503849 1115539400 /nfs/dbraw/zinc/53/94/00/1115539400.db2.gz WXYOJQPSMBLRRU-OAHLLOKOSA-N 1 2 356.267 4.095 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503849 1115539402 /nfs/dbraw/zinc/53/94/02/1115539402.db2.gz WXYOJQPSMBLRRU-OAHLLOKOSA-N 1 2 356.267 4.095 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000596995590 1115634229 /nfs/dbraw/zinc/63/42/29/1115634229.db2.gz KSFUWEHWICQOTL-FQEVSTJZSA-N 1 2 352.865 4.469 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000596995590 1115634232 /nfs/dbraw/zinc/63/42/32/1115634232.db2.gz KSFUWEHWICQOTL-FQEVSTJZSA-N 1 2 352.865 4.469 20 30 FIEDLO COc1cc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)ccc1C ZINC000594032834 1115968137 /nfs/dbraw/zinc/96/81/37/1115968137.db2.gz ACGGENOGAAQYGI-UHFFFAOYSA-N 1 2 374.444 4.094 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300673 1116037781 /nfs/dbraw/zinc/03/77/81/1116037781.db2.gz BIWFHNMYQWRJQL-MRXNPFEDSA-N 1 2 367.880 4.077 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300673 1116037783 /nfs/dbraw/zinc/03/77/83/1116037783.db2.gz BIWFHNMYQWRJQL-MRXNPFEDSA-N 1 2 367.880 4.077 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000063300654 1116039191 /nfs/dbraw/zinc/03/91/91/1116039191.db2.gz NQCKSZQKSOYIMA-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000063300654 1116039194 /nfs/dbraw/zinc/03/91/94/1116039194.db2.gz NQCKSZQKSOYIMA-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000539863224 1116392781 /nfs/dbraw/zinc/39/27/81/1116392781.db2.gz KHQPECSUZXKODT-INIZCTEOSA-N 1 2 366.509 4.438 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000539863224 1116392783 /nfs/dbraw/zinc/39/27/83/1116392783.db2.gz KHQPECSUZXKODT-INIZCTEOSA-N 1 2 366.509 4.438 20 30 FIEDLO N#CCc1ccsc1C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001272319672 1117739333 /nfs/dbraw/zinc/73/93/33/1117739333.db2.gz HPYBCDUVSBDTNI-UHFFFAOYSA-N 1 2 363.442 4.233 20 30 FIEDLO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)c(OC(F)F)c1 ZINC000540238599 1117956001 /nfs/dbraw/zinc/95/60/01/1117956001.db2.gz USGQKHATLOHHNE-UHFFFAOYSA-N 1 2 371.412 4.369 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c1C ZINC000540324396 1117992517 /nfs/dbraw/zinc/99/25/17/1117992517.db2.gz AYEJRMFWVZYXMW-INIZCTEOSA-N 1 2 371.431 4.179 20 30 FIEDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000540328905 1117994428 /nfs/dbraw/zinc/99/44/28/1117994428.db2.gz VWTNMCYXWFFRIK-HNNXBMFYSA-N 1 2 362.433 4.246 20 30 FIEDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000540351674 1117997535 /nfs/dbraw/zinc/99/75/35/1117997535.db2.gz LOGFZMHGRBTIJN-SFHVURJKSA-N 1 2 362.433 4.248 20 30 FIEDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000540364906 1118016144 /nfs/dbraw/zinc/01/61/44/1118016144.db2.gz DSKDWAKNFLXSHZ-HNNXBMFYSA-N 1 2 362.433 4.246 20 30 FIEDLO CC[N@H+](Cc1ncc(Br)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000542152822 1118814279 /nfs/dbraw/zinc/81/42/79/1118814279.db2.gz SYLVLVVALCEQES-LLVKDONJSA-N 1 2 350.285 4.360 20 30 FIEDLO CC[N@@H+](Cc1ncc(Br)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000542152822 1118814282 /nfs/dbraw/zinc/81/42/82/1118814282.db2.gz SYLVLVVALCEQES-LLVKDONJSA-N 1 2 350.285 4.360 20 30 FIEDLO C=C(C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000185472919 1119665380 /nfs/dbraw/zinc/66/53/80/1119665380.db2.gz RZJWLSHLSFEZAA-LJQANCHMSA-N 1 2 374.435 4.169 20 30 FIEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccsc1 ZINC000017307576 1119810924 /nfs/dbraw/zinc/81/09/24/1119810924.db2.gz PODMGPVWHWSERW-UHFFFAOYSA-N 1 2 359.520 4.021 20 30 FIEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccsc1 ZINC000017307576 1119810934 /nfs/dbraw/zinc/81/09/34/1119810934.db2.gz PODMGPVWHWSERW-UHFFFAOYSA-N 1 2 359.520 4.021 20 30 FIEDLO CCCCn1c(SCC#Cc2ccccc2)nnc1[C@H](CC)[NH+](C)C ZINC000191455808 1119978274 /nfs/dbraw/zinc/97/82/74/1119978274.db2.gz UHBKHVPBMTWXHE-SFHVURJKSA-N 1 2 356.539 4.235 20 30 FIEDLO Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000761756211 1120337391 /nfs/dbraw/zinc/33/73/91/1120337391.db2.gz GHPLYSRAHCKOFK-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000761756211 1120337397 /nfs/dbraw/zinc/33/73/97/1120337397.db2.gz GHPLYSRAHCKOFK-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C2CC2)cc1 ZINC000487903619 1120777932 /nfs/dbraw/zinc/77/79/32/1120777932.db2.gz AHFDNYKKQOIZPE-UHFFFAOYSA-N 1 2 364.399 4.187 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C2CC2)cc1 ZINC000487903619 1120777941 /nfs/dbraw/zinc/77/79/41/1120777941.db2.gz AHFDNYKKQOIZPE-UHFFFAOYSA-N 1 2 364.399 4.187 20 30 FIEDLO C=CCOc1ccc(-c2nnc(SCc3cc[nH+]c(N(C)C)c3)o2)cc1 ZINC000762482009 1120915649 /nfs/dbraw/zinc/91/56/49/1120915649.db2.gz XQODKAKOFAGQNH-UHFFFAOYSA-N 1 2 368.462 4.055 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000237493834 1120978753 /nfs/dbraw/zinc/97/87/53/1120978753.db2.gz JQWFLWJXGGYOLM-AWEZNQCLSA-N 1 2 353.397 4.291 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000153781441 1121350385 /nfs/dbraw/zinc/35/03/85/1121350385.db2.gz FQTPJMCLTIIGRX-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO C[N@H+](CCCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000917114680 1122163349 /nfs/dbraw/zinc/16/33/49/1122163349.db2.gz GUIKCICOQWBWJH-KRWDZBQOSA-N 1 2 363.486 4.037 20 30 FIEDLO C[N@@H+](CCCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000917114680 1122163354 /nfs/dbraw/zinc/16/33/54/1122163354.db2.gz GUIKCICOQWBWJH-KRWDZBQOSA-N 1 2 363.486 4.037 20 30 FIEDLO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000553832024 1122297639 /nfs/dbraw/zinc/29/76/39/1122297639.db2.gz MXBKFALPFBQNNF-UHFFFAOYSA-N 1 2 359.832 4.200 20 30 FIEDLO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000553832024 1122297641 /nfs/dbraw/zinc/29/76/41/1122297641.db2.gz MXBKFALPFBQNNF-UHFFFAOYSA-N 1 2 359.832 4.200 20 30 FIEDLO C#CC[N@@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCc2ccccc21 ZINC000917456852 1122321427 /nfs/dbraw/zinc/32/14/27/1122321427.db2.gz GOFSSIMAOMDEJJ-NRFANRHFSA-N 1 2 352.437 4.380 20 30 FIEDLO C#CC[N@H+](CN1c2cccc3cccc(c23)C1=O)[C@H]1CCc2ccccc21 ZINC000917456852 1122321430 /nfs/dbraw/zinc/32/14/30/1122321430.db2.gz GOFSSIMAOMDEJJ-NRFANRHFSA-N 1 2 352.437 4.380 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920484000 1123462889 /nfs/dbraw/zinc/46/28/89/1123462889.db2.gz AMNZCQZVNIQUDI-KRWDZBQOSA-N 1 2 360.502 4.484 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920484000 1123462892 /nfs/dbraw/zinc/46/28/92/1123462892.db2.gz AMNZCQZVNIQUDI-KRWDZBQOSA-N 1 2 360.502 4.484 20 30 FIEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000920944369 1123540496 /nfs/dbraw/zinc/54/04/96/1123540496.db2.gz CUVKVUGLWOALJO-UMUMUWHJSA-N 1 2 373.840 4.210 20 30 FIEDLO CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609701202 1123801840 /nfs/dbraw/zinc/80/18/40/1123801840.db2.gz HULKLFRJTZBKEC-JOCHJYFZSA-N 1 2 367.537 4.055 20 30 FIEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc2ccccc12 ZINC000609893459 1123881691 /nfs/dbraw/zinc/88/16/91/1123881691.db2.gz MAQONVPNADPQGX-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO Cc1cn2cc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc2[nH+]1 ZINC000610018758 1123921419 /nfs/dbraw/zinc/92/14/19/1123921419.db2.gz OSYYAIQDLYMDTC-UHFFFAOYSA-N 1 2 361.449 4.205 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000301062044 1124188133 /nfs/dbraw/zinc/18/81/33/1124188133.db2.gz CGCBESNAHLEOMV-UHFFFAOYSA-N 1 2 360.486 4.004 20 30 FIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000301066462 1124188346 /nfs/dbraw/zinc/18/83/46/1124188346.db2.gz AYKACMYZTNMHAY-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO CC[N@H+](Cc1nnc(Cc2ccccc2C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000123099323 1124220198 /nfs/dbraw/zinc/22/01/98/1124220198.db2.gz GARHJONNCFRXJK-KRWDZBQOSA-N 1 2 360.461 4.424 20 30 FIEDLO CC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000123099323 1124220206 /nfs/dbraw/zinc/22/02/06/1124220206.db2.gz GARHJONNCFRXJK-KRWDZBQOSA-N 1 2 360.461 4.424 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000302081506 1124283170 /nfs/dbraw/zinc/28/31/70/1124283170.db2.gz CDOOZPANRXEARS-OAHLLOKOSA-N 1 2 367.880 4.297 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000302139422 1124286454 /nfs/dbraw/zinc/28/64/54/1124286454.db2.gz FAEBHVLIQHNGOP-UHFFFAOYSA-N 1 2 371.282 4.318 20 30 FIEDLO CCc1sc(-c2nnc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cc1C ZINC000554841418 1124533592 /nfs/dbraw/zinc/53/35/92/1124533592.db2.gz GUIFFVYDWXENCS-ZDUSSCGKSA-N 1 2 352.463 4.391 20 30 FIEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246997812 1124579473 /nfs/dbraw/zinc/57/94/73/1124579473.db2.gz QYEXTBUWHMTMDE-UKRRQHHQSA-N 1 2 352.265 4.280 20 30 FIEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246997812 1124579480 /nfs/dbraw/zinc/57/94/80/1124579480.db2.gz QYEXTBUWHMTMDE-UKRRQHHQSA-N 1 2 352.265 4.280 20 30 FIEDLO C=C(C)[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC000251677876 1125016541 /nfs/dbraw/zinc/01/65/41/1125016541.db2.gz MWWPIBSPCYCBCO-CCKFTAQKSA-N 1 2 374.435 4.071 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076803735 1125041900 /nfs/dbraw/zinc/04/19/00/1125041900.db2.gz XVSBWUBWWSARTD-KRWDZBQOSA-N 1 2 357.841 4.360 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076803735 1125041909 /nfs/dbraw/zinc/04/19/09/1125041909.db2.gz XVSBWUBWWSARTD-KRWDZBQOSA-N 1 2 357.841 4.360 20 30 FIEDLO C=C(CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000672605619 1125194348 /nfs/dbraw/zinc/19/43/48/1125194348.db2.gz FTJHNLTUHMYRRL-OAHLLOKOSA-N 1 2 370.522 4.210 20 30 FIEDLO C=C(CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000672605619 1125194351 /nfs/dbraw/zinc/19/43/51/1125194351.db2.gz FTJHNLTUHMYRRL-OAHLLOKOSA-N 1 2 370.522 4.210 20 30 FIEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543048029 1125561416 /nfs/dbraw/zinc/56/14/16/1125561416.db2.gz NXCSBSLCIDUOND-UHFFFAOYSA-N 1 2 362.399 4.470 20 30 FIEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000471154763 1079973103 /nfs/dbraw/zinc/97/31/03/1079973103.db2.gz WDNIQXLHTTWXFQ-OAQYLSRUSA-N 1 2 374.513 4.193 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000179426998 1080174283 /nfs/dbraw/zinc/17/42/83/1080174283.db2.gz KEKPDDCPWFACDX-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000179426998 1080174290 /nfs/dbraw/zinc/17/42/90/1080174290.db2.gz KEKPDDCPWFACDX-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179229110 1080193060 /nfs/dbraw/zinc/19/30/60/1080193060.db2.gz QRTPVTFQRKKBEK-LLVKDONJSA-N 1 2 353.285 4.321 20 30 FIEDLO C#C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC001625821367 1080304499 /nfs/dbraw/zinc/30/44/99/1080304499.db2.gz KGTUNAHATDKETJ-NZSAHSFTSA-N 1 2 367.880 4.196 20 30 FIEDLO COC[C@H](C)N(Cc1cccc(OC)c1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001167119386 1080582412 /nfs/dbraw/zinc/58/24/12/1080582412.db2.gz PMMYIYWHQHGEBL-INIZCTEOSA-N 1 2 361.445 4.157 20 30 FIEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610246964 1080584098 /nfs/dbraw/zinc/58/40/98/1080584098.db2.gz YOEYYGZYTIISRW-GCJKJVERSA-N 1 2 373.456 4.294 20 30 FIEDLO C=CC[NH+](Cc1nc2ccccc2nc1C)Cc1nc2ccccc2nc1C ZINC000047549910 1080607965 /nfs/dbraw/zinc/60/79/65/1080607965.db2.gz BGGKPVGGNZTMTJ-UHFFFAOYSA-N 1 2 369.472 4.378 20 30 FIEDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610413266 1081814416 /nfs/dbraw/zinc/81/44/16/1081814416.db2.gz KWOGXYDXAJQMDZ-IFXJQAMLSA-N 1 2 360.379 4.377 20 30 FIEDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610413266 1081814426 /nfs/dbraw/zinc/81/44/26/1081814426.db2.gz KWOGXYDXAJQMDZ-IFXJQAMLSA-N 1 2 360.379 4.377 20 30 FIEDLO Cc1cc2c(s1)N(c1nnc(C)c(C)c1C#N)c1ccccc1NC2=[NH2+] ZINC001167456317 1082502173 /nfs/dbraw/zinc/50/21/73/1082502173.db2.gz CFDJUPAOKWCNRC-UHFFFAOYSA-N 1 2 360.446 4.155 20 30 FIEDLO CCc1nc(C#N)cc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)n1 ZINC001167463171 1082579239 /nfs/dbraw/zinc/57/92/39/1082579239.db2.gz DAGCZZKAJXQXOR-UHFFFAOYSA-N 1 2 360.446 4.101 20 30 FIEDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187470429 1082982538 /nfs/dbraw/zinc/98/25/38/1082982538.db2.gz SRNLAWGYHSYWOQ-LJQANCHMSA-N 1 2 356.853 4.384 20 30 FIEDLO CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@@H](C)C#N ZINC000091983696 1083353111 /nfs/dbraw/zinc/35/31/11/1083353111.db2.gz VYUXGQKXTUVDOI-KRWDZBQOSA-N 1 2 368.477 4.264 20 30 FIEDLO CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@@H](C)C#N ZINC000091983696 1083353113 /nfs/dbraw/zinc/35/31/13/1083353113.db2.gz VYUXGQKXTUVDOI-KRWDZBQOSA-N 1 2 368.477 4.264 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC(F)F)c1 ZINC000179578014 1083566937 /nfs/dbraw/zinc/56/69/37/1083566937.db2.gz HWPKCYOCTFTVNI-GFCCVEGCSA-N 1 2 370.359 4.060 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1csc(Br)c1 ZINC000162248548 1083722690 /nfs/dbraw/zinc/72/26/90/1083722690.db2.gz DBVBSINALLLVDV-UHFFFAOYSA-N 1 2 352.257 4.200 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1C#N ZINC000535895192 1083937031 /nfs/dbraw/zinc/93/70/31/1083937031.db2.gz SZQLBLOXOPQKMH-JOCHJYFZSA-N 1 2 374.415 4.363 20 30 FIEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178533217 1084642722 /nfs/dbraw/zinc/64/27/22/1084642722.db2.gz VUEXOYIZQYKKHU-RTWAWAEBSA-N 1 2 371.444 4.114 20 30 FIEDLO O=C(C1CC[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1)C(F)(F)F ZINC001143442265 1084754260 /nfs/dbraw/zinc/75/42/60/1084754260.db2.gz JDKMDVZMWRZTPJ-UHFFFAOYSA-N 1 2 373.268 4.068 20 30 FIEDLO Cn1cc(CNc2[nH+]cccc2OCc2cccc(Cl)c2)cc1C#N ZINC000478578088 1084967066 /nfs/dbraw/zinc/96/70/66/1084967066.db2.gz ZQGPNMXYAGSNCE-UHFFFAOYSA-N 1 2 352.825 4.136 20 30 FIEDLO C=CCCn1cc(C[NH2+]Cc2c(OC(C)C)ccc3ccccc32)nn1 ZINC000657437541 1085046622 /nfs/dbraw/zinc/04/66/22/1085046622.db2.gz SPFZTEQESJVVBZ-UHFFFAOYSA-N 1 2 350.466 4.084 20 30 FIEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472229938 1085109184 /nfs/dbraw/zinc/10/91/84/1085109184.db2.gz DGFQBVCIRIKGLE-OAHLLOKOSA-N 1 2 357.281 4.469 20 30 FIEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000472229938 1085109188 /nfs/dbraw/zinc/10/91/88/1085109188.db2.gz DGFQBVCIRIKGLE-OAHLLOKOSA-N 1 2 357.281 4.469 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000065604074 1085661065 /nfs/dbraw/zinc/66/10/65/1085661065.db2.gz ZSJFJTWLAYKOMU-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000065604074 1085661073 /nfs/dbraw/zinc/66/10/73/1085661073.db2.gz ZSJFJTWLAYKOMU-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728564339 1086614733 /nfs/dbraw/zinc/61/47/33/1086614733.db2.gz YNJZSGVJXAWWDM-QGZVFWFLSA-N 1 2 370.522 4.108 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728564339 1086614742 /nfs/dbraw/zinc/61/47/42/1086614742.db2.gz YNJZSGVJXAWWDM-QGZVFWFLSA-N 1 2 370.522 4.108 20 30 FIEDLO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(C#N)CC1 ZINC000163271823 1086857828 /nfs/dbraw/zinc/85/78/28/1086857828.db2.gz IVBLCBFEJYCOAZ-JTQLQIEISA-N 1 2 351.237 4.340 20 30 FIEDLO Cn1ccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)n1 ZINC000583663566 1086907179 /nfs/dbraw/zinc/90/71/79/1086907179.db2.gz LTIVENGWWQOQPC-FPOVZHCZSA-N 1 2 362.864 4.312 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000583881034 1087009757 /nfs/dbraw/zinc/00/97/57/1087009757.db2.gz QCGZLZGEKIQZDJ-DYVFJYSZSA-N 1 2 365.399 4.431 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881034 1087009765 /nfs/dbraw/zinc/00/97/65/1087009765.db2.gz QCGZLZGEKIQZDJ-DYVFJYSZSA-N 1 2 365.399 4.431 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Br)cs1 ZINC000162238810 1087517781 /nfs/dbraw/zinc/51/77/81/1087517781.db2.gz BWGKSNPCUZQFPQ-UHFFFAOYSA-N 1 2 352.257 4.200 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Br)s1 ZINC000162235136 1087531957 /nfs/dbraw/zinc/53/19/57/1087531957.db2.gz VUYHOORMCLKJRS-UHFFFAOYSA-N 1 2 352.257 4.200 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000505041328 1088061493 /nfs/dbraw/zinc/06/14/93/1088061493.db2.gz ZZLHHFVKZSRPNA-UHFFFAOYSA-N 1 2 374.488 4.027 20 30 FIEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000176996801 1088162822 /nfs/dbraw/zinc/16/28/22/1088162822.db2.gz JZAOQXQFUJPXKW-JOCHJYFZSA-N 1 2 373.456 4.133 20 30 FIEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177112031 1088211692 /nfs/dbraw/zinc/21/16/92/1088211692.db2.gz VPVRQEOXKWDTJK-KRWDZBQOSA-N 1 2 369.490 4.021 20 30 FIEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177112031 1088211707 /nfs/dbraw/zinc/21/17/07/1088211707.db2.gz VPVRQEOXKWDTJK-KRWDZBQOSA-N 1 2 369.490 4.021 20 30 FIEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670283 1089034897 /nfs/dbraw/zinc/03/48/97/1089034897.db2.gz QVFVFKUEUHRYEY-WMLDXEAASA-N 1 2 371.308 4.114 20 30 FIEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670283 1089034913 /nfs/dbraw/zinc/03/49/13/1089034913.db2.gz QVFVFKUEUHRYEY-WMLDXEAASA-N 1 2 371.308 4.114 20 30 FIEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278822916 1090092839 /nfs/dbraw/zinc/09/28/39/1090092839.db2.gz ITBUAXFFEAWBBP-LJQANCHMSA-N 1 2 359.473 4.081 20 30 FIEDLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nccs1 ZINC000185060153 1090501113 /nfs/dbraw/zinc/50/11/13/1090501113.db2.gz TXKBLDHAIDHDTH-ZIAGYGMSSA-N 1 2 374.535 4.217 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512511763 1092608758 /nfs/dbraw/zinc/60/87/58/1092608758.db2.gz LMUCMKBOSQDKBH-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000512511763 1092608770 /nfs/dbraw/zinc/60/87/70/1092608770.db2.gz LMUCMKBOSQDKBH-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc2c1OCOC2 ZINC000512541211 1092691455 /nfs/dbraw/zinc/69/14/55/1092691455.db2.gz CYOUDKQBCUIGCW-UHFFFAOYSA-N 1 2 359.445 4.048 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)cc2c1OCOC2 ZINC000512541211 1092691468 /nfs/dbraw/zinc/69/14/68/1092691468.db2.gz CYOUDKQBCUIGCW-UHFFFAOYSA-N 1 2 359.445 4.048 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001141816960 1093598591 /nfs/dbraw/zinc/59/85/91/1093598591.db2.gz QKPHBTIXBIYLJK-UHFFFAOYSA-N 1 2 371.278 4.406 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265471 1093630441 /nfs/dbraw/zinc/63/04/41/1093630441.db2.gz IJXBDVAHYTWZQX-YADHBBJMSA-N 1 2 360.436 4.283 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265471 1093630444 /nfs/dbraw/zinc/63/04/44/1093630444.db2.gz IJXBDVAHYTWZQX-YADHBBJMSA-N 1 2 360.436 4.283 20 30 FIEDLO N#CC(CC[N@H+]1CCOC[C@H]1CC(F)F)(c1ccccc1)c1ccccc1 ZINC000513414187 1094113383 /nfs/dbraw/zinc/11/33/83/1094113383.db2.gz CGAPSNVJAAQNEM-HXUWFJFHSA-N 1 2 370.443 4.242 20 30 FIEDLO N#CC(CC[N@@H+]1CCOC[C@H]1CC(F)F)(c1ccccc1)c1ccccc1 ZINC000513414187 1094113385 /nfs/dbraw/zinc/11/33/85/1094113385.db2.gz CGAPSNVJAAQNEM-HXUWFJFHSA-N 1 2 370.443 4.242 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501257092 1094579568 /nfs/dbraw/zinc/57/95/68/1094579568.db2.gz NAQWUOSYZXAOJJ-UHFFFAOYSA-N 1 2 350.340 4.097 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000501257092 1094579581 /nfs/dbraw/zinc/57/95/81/1094579581.db2.gz NAQWUOSYZXAOJJ-UHFFFAOYSA-N 1 2 350.340 4.097 20 30 FIEDLO Cc1ccccc1Cc1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000430037890 1094709974 /nfs/dbraw/zinc/70/99/74/1094709974.db2.gz AEADICYZUCWSGM-UHFFFAOYSA-N 1 2 374.488 4.499 20 30 FIEDLO Cc1ccccc1Cc1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000430037890 1094709979 /nfs/dbraw/zinc/70/99/79/1094709979.db2.gz AEADICYZUCWSGM-UHFFFAOYSA-N 1 2 374.488 4.499 20 30 FIEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3nc4ccccc4s3)CC2)[nH]n1 ZINC000329285845 1094819050 /nfs/dbraw/zinc/81/90/50/1094819050.db2.gz LUZOITQSPJAKMJ-ZDUSSCGKSA-N 1 2 369.494 4.184 20 30 FIEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3nc4ccccc4s3)CC2)n[nH]1 ZINC000329285845 1094819074 /nfs/dbraw/zinc/81/90/74/1094819074.db2.gz LUZOITQSPJAKMJ-ZDUSSCGKSA-N 1 2 369.494 4.184 20 30 FIEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3nc4ccc(C)cc4s3)CC2)n[nH]1 ZINC000329290076 1094824640 /nfs/dbraw/zinc/82/46/40/1094824640.db2.gz IFJKOYMKYKUYPN-UHFFFAOYSA-N 1 2 369.494 4.104 20 30 FIEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3nc4ccc(C)cc4s3)CC2)[nH]n1 ZINC000329290076 1094824655 /nfs/dbraw/zinc/82/46/55/1094824655.db2.gz IFJKOYMKYKUYPN-UHFFFAOYSA-N 1 2 369.494 4.104 20 30 FIEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1 ZINC000329591657 1094988697 /nfs/dbraw/zinc/98/86/97/1094988697.db2.gz NXAPMBGBVGNLIM-CIRFHOKZSA-N 1 2 373.497 4.029 20 30 FIEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1 ZINC000329591657 1094988704 /nfs/dbraw/zinc/98/87/04/1094988704.db2.gz NXAPMBGBVGNLIM-CIRFHOKZSA-N 1 2 373.497 4.029 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000545885955 1095003301 /nfs/dbraw/zinc/00/33/01/1095003301.db2.gz DYCIGRKMMOGBPI-UHFFFAOYSA-N 1 2 373.547 4.337 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H](C2CC2)C1 ZINC000329628961 1095020899 /nfs/dbraw/zinc/02/08/99/1095020899.db2.gz QCUVFEBRORBFHO-QGZVFWFLSA-N 1 2 350.466 4.164 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330119744 1095386320 /nfs/dbraw/zinc/38/63/20/1095386320.db2.gz IMBJCTDFTXUBFT-JLHGSKIFSA-N 1 2 374.525 4.058 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330119744 1095386332 /nfs/dbraw/zinc/38/63/32/1095386332.db2.gz IMBJCTDFTXUBFT-JLHGSKIFSA-N 1 2 374.525 4.058 20 30 FIEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157701 1095398519 /nfs/dbraw/zinc/39/85/19/1095398519.db2.gz POGBRXFQOOUGIS-RADWXHQJSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157701 1095398534 /nfs/dbraw/zinc/39/85/34/1095398534.db2.gz POGBRXFQOOUGIS-RADWXHQJSA-N 1 2 368.477 4.086 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000330184381 1095407042 /nfs/dbraw/zinc/40/70/42/1095407042.db2.gz QQNCYCSYIZMBHI-OLZOCXBDSA-N 1 2 372.485 4.279 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000330184381 1095407056 /nfs/dbraw/zinc/40/70/56/1095407056.db2.gz QQNCYCSYIZMBHI-OLZOCXBDSA-N 1 2 372.485 4.279 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330329722 1095510698 /nfs/dbraw/zinc/51/06/98/1095510698.db2.gz MUXWAOOZEZGAPZ-UJJWPFCGSA-N 1 2 373.419 4.356 20 30 FIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)n2)cc1 ZINC000273315748 1096249945 /nfs/dbraw/zinc/24/99/45/1096249945.db2.gz OHEVCPCSGHGNMQ-HNNXBMFYSA-N 1 2 362.433 4.052 20 30 FIEDLO COc1ccc(C[N@@H+](Cc2cc(F)ccc2C#N)CC2CC2)c(OC)c1 ZINC000503245575 1096327177 /nfs/dbraw/zinc/32/71/77/1096327177.db2.gz YOYZEMARLSKJIV-UHFFFAOYSA-N 1 2 354.425 4.127 20 30 FIEDLO COc1ccc(C[N@H+](Cc2cc(F)ccc2C#N)CC2CC2)c(OC)c1 ZINC000503245575 1096327182 /nfs/dbraw/zinc/32/71/82/1096327182.db2.gz YOYZEMARLSKJIV-UHFFFAOYSA-N 1 2 354.425 4.127 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(-c2ccccn2)nc1 ZINC000425458582 1098707335 /nfs/dbraw/zinc/70/73/35/1098707335.db2.gz NJHMWRWGWFFXKV-UHFFFAOYSA-N 1 2 361.493 4.499 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(-c2ccccn2)nc1 ZINC000425458582 1098707345 /nfs/dbraw/zinc/70/73/45/1098707345.db2.gz NJHMWRWGWFFXKV-UHFFFAOYSA-N 1 2 361.493 4.499 20 30 FIEDLO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000026328602 1099002673 /nfs/dbraw/zinc/00/26/73/1099002673.db2.gz IWHDLEFMPONTOB-UHFFFAOYSA-N 1 2 369.468 4.223 20 30 FIEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000026328602 1099002685 /nfs/dbraw/zinc/00/26/85/1099002685.db2.gz IWHDLEFMPONTOB-UHFFFAOYSA-N 1 2 369.468 4.223 20 30 FIEDLO COc1cccc2c(NCc3nc(-c4cccc(C#N)c4)c[nH]3)cc[nH+]c12 ZINC000436432770 1099012251 /nfs/dbraw/zinc/01/22/51/1099012251.db2.gz SIMKVMDDVBDTLA-UHFFFAOYSA-N 1 2 355.401 4.117 20 30 FIEDLO CC(C)c1csc([C@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000436698157 1099229507 /nfs/dbraw/zinc/22/95/07/1099229507.db2.gz OQPHQJWOFRSPCF-MRXNPFEDSA-N 1 2 350.447 4.001 20 30 FIEDLO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)ccc21 ZINC000506051822 1099932597 /nfs/dbraw/zinc/93/25/97/1099932597.db2.gz OJSCNCPWXHURIP-UHFFFAOYSA-N 1 2 374.488 4.379 20 30 FIEDLO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)C(C)C ZINC000533786428 1099934633 /nfs/dbraw/zinc/93/46/33/1099934633.db2.gz RKPZVDJEZRTUPA-KBPBESRZSA-N 1 2 372.376 4.255 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000533811993 1099972039 /nfs/dbraw/zinc/97/20/39/1099972039.db2.gz WLCWFPHVEFUECH-UHFFFAOYSA-N 1 2 371.506 4.053 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000517597240 1100529123 /nfs/dbraw/zinc/52/91/23/1100529123.db2.gz KXWTUPGIEMDDGG-UHFFFAOYSA-N 1 2 367.251 4.389 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000517597240 1100529133 /nfs/dbraw/zinc/52/91/33/1100529133.db2.gz KXWTUPGIEMDDGG-UHFFFAOYSA-N 1 2 367.251 4.389 20 30 FIEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ncc(Br)s1 ZINC000783709205 1101521150 /nfs/dbraw/zinc/52/11/50/1101521150.db2.gz LPBUNHLLGVDTKA-OWOJBTEDSA-N 1 2 366.265 4.049 20 30 FIEDLO N#Cc1c(Br)cccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000439967644 1101936176 /nfs/dbraw/zinc/93/61/76/1101936176.db2.gz OTNUAULUJBVCKE-UHFFFAOYSA-N 1 2 371.282 4.318 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583349 1102473068 /nfs/dbraw/zinc/47/30/68/1102473068.db2.gz UUKVHVNFGLYHDL-MSOLQXFVSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583349 1102473079 /nfs/dbraw/zinc/47/30/79/1102473079.db2.gz UUKVHVNFGLYHDL-MSOLQXFVSA-N 1 2 364.892 4.477 20 30 FIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476690646 1102712459 /nfs/dbraw/zinc/71/24/59/1102712459.db2.gz FENUBQIRRSDPRP-HKUYNNGSSA-N 1 2 367.518 4.041 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C[C@@H](C)C#N)C3CC3)c2)cc1 ZINC000537660967 1102786303 /nfs/dbraw/zinc/78/63/03/1102786303.db2.gz MEDUHUWVMJSAOT-INIZCTEOSA-N 1 2 363.461 4.072 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C[C@@H](C)C#N)C3CC3)c2)cc1 ZINC000537660967 1102786316 /nfs/dbraw/zinc/78/63/16/1102786316.db2.gz MEDUHUWVMJSAOT-INIZCTEOSA-N 1 2 363.461 4.072 20 30 FIEDLO Cc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000536596160 1102842377 /nfs/dbraw/zinc/84/23/77/1102842377.db2.gz NNUUMZXEJNNUMO-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO Cc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000536596160 1102842398 /nfs/dbraw/zinc/84/23/98/1102842398.db2.gz NNUUMZXEJNNUMO-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000532747704 1103160981 /nfs/dbraw/zinc/16/09/81/1103160981.db2.gz LQWXLWUVUWXHCF-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000532747704 1103160986 /nfs/dbraw/zinc/16/09/86/1103160986.db2.gz LQWXLWUVUWXHCF-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000477141240 1103163110 /nfs/dbraw/zinc/16/31/10/1103163110.db2.gz VDKRCUXQQMTZOO-GOSISDBHSA-N 1 2 351.494 4.243 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000477141240 1103163114 /nfs/dbraw/zinc/16/31/14/1103163114.db2.gz VDKRCUXQQMTZOO-GOSISDBHSA-N 1 2 351.494 4.243 20 30 FIEDLO N#Cc1cccc(OCCCNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000507651215 1103573808 /nfs/dbraw/zinc/57/38/08/1103573808.db2.gz SFXQNTHGPKWZFO-UHFFFAOYSA-N 1 2 370.456 4.354 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)o2)c1 ZINC000441249897 1104221900 /nfs/dbraw/zinc/22/19/00/1104221900.db2.gz ZJYBCONJJNJWGA-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)o2)c1 ZINC000441249897 1104221908 /nfs/dbraw/zinc/22/19/08/1104221908.db2.gz ZJYBCONJJNJWGA-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CCCCCC1 ZINC000328767278 1104554140 /nfs/dbraw/zinc/55/41/40/1104554140.db2.gz HPBFAHUYATUHQB-IBGZPJMESA-N 1 2 374.529 4.039 20 30 FIEDLO CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CCCCCC1 ZINC000328767278 1104554148 /nfs/dbraw/zinc/55/41/48/1104554148.db2.gz HPBFAHUYATUHQB-IBGZPJMESA-N 1 2 374.529 4.039 20 30 FIEDLO CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000330788047 1104677090 /nfs/dbraw/zinc/67/70/90/1104677090.db2.gz YBJRIMJNCHHQAR-GOSISDBHSA-N 1 2 359.489 4.045 20 30 FIEDLO C=CCC[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000441544858 1104978544 /nfs/dbraw/zinc/97/85/44/1104978544.db2.gz QVUCGYSUIGBMSD-INIZCTEOSA-N 1 2 351.372 4.116 20 30 FIEDLO C[C@@H](CC#N)N(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301596303 1107081932 /nfs/dbraw/zinc/08/19/32/1107081932.db2.gz ZHIQMBQHQYTXGP-AWEZNQCLSA-N 1 2 365.506 4.158 20 30 FIEDLO C=C(C)[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302859622 1107470281 /nfs/dbraw/zinc/47/02/81/1107470281.db2.gz UGWHZTTVVZVRKB-GOSISDBHSA-N 1 2 362.449 4.037 20 30 FIEDLO C=C(C)[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302859622 1107470296 /nfs/dbraw/zinc/47/02/96/1107470296.db2.gz UGWHZTTVVZVRKB-GOSISDBHSA-N 1 2 362.449 4.037 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(F)cc(Br)c1 ZINC000453047102 1108104961 /nfs/dbraw/zinc/10/49/61/1108104961.db2.gz HGZMTAXULRBTMH-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc(F)c4C#N)CC3)c2c1 ZINC000428394386 1108537956 /nfs/dbraw/zinc/53/79/56/1108537956.db2.gz UOXSWSUXTJBYNP-UHFFFAOYSA-N 1 2 361.420 4.477 20 30 FIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cccc(F)c4C#N)CC3)c2c1 ZINC000428394386 1108537977 /nfs/dbraw/zinc/53/79/77/1108537977.db2.gz UOXSWSUXTJBYNP-UHFFFAOYSA-N 1 2 361.420 4.477 20 30 FIEDLO CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000453779873 1108735691 /nfs/dbraw/zinc/73/56/91/1108735691.db2.gz NQKQTBZTPXQTOG-MRXNPFEDSA-N 1 2 364.474 4.175 20 30 FIEDLO C=CCCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000524072581 1108811327 /nfs/dbraw/zinc/81/13/27/1108811327.db2.gz JWPKAVWDGYKVAO-QGZVFWFLSA-N 1 2 367.896 4.224 20 30 FIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc(C)c(C#N)cc1Cl ZINC000461973527 1111450203 /nfs/dbraw/zinc/45/02/03/1111450203.db2.gz NCWQSJZYLBIUOK-UHFFFAOYSA-N 1 2 369.900 4.053 20 30 FIEDLO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)CC(C)(C)C#N ZINC000552316572 1111675736 /nfs/dbraw/zinc/67/57/36/1111675736.db2.gz FYHWYKPCOBLOCX-UHFFFAOYSA-N 1 2 365.193 4.329 20 30 FIEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)CC(C)(C)C#N ZINC000552316572 1111675737 /nfs/dbraw/zinc/67/57/37/1111675737.db2.gz FYHWYKPCOBLOCX-UHFFFAOYSA-N 1 2 365.193 4.329 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000552579558 1111750388 /nfs/dbraw/zinc/75/03/88/1111750388.db2.gz LIEGEZYVBOAULT-OAHLLOKOSA-N 1 2 374.937 4.363 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000552579558 1111750393 /nfs/dbraw/zinc/75/03/93/1111750393.db2.gz LIEGEZYVBOAULT-OAHLLOKOSA-N 1 2 374.937 4.363 20 30 FIEDLO CC(C)(C#N)c1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000552926407 1111851110 /nfs/dbraw/zinc/85/11/10/1111851110.db2.gz HVDLTIRKSKKYTR-IBGZPJMESA-N 1 2 358.445 4.372 20 30 FIEDLO C=C(C)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000478920390 1111918536 /nfs/dbraw/zinc/91/85/36/1111918536.db2.gz GEUMVNUWSXAFGX-IBGZPJMESA-N 1 2 353.372 4.198 20 30 FIEDLO C=CC(C)(C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000898460566 1112252747 /nfs/dbraw/zinc/25/27/47/1112252747.db2.gz OMZDNANEQPEXGA-UHFFFAOYSA-N 1 2 351.422 4.160 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc(Cl)c1O ZINC000600212501 1112926160 /nfs/dbraw/zinc/92/61/60/1112926160.db2.gz FOQWFGLQZXVADH-UHFFFAOYSA-N 1 2 356.853 4.069 20 30 FIEDLO CCOc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc(Cl)c1O ZINC000600212501 1112926162 /nfs/dbraw/zinc/92/61/62/1112926162.db2.gz FOQWFGLQZXVADH-UHFFFAOYSA-N 1 2 356.853 4.069 20 30 FIEDLO N#CC1(c2ccc(CN3CC[NH+](Cc4cc5ccccc5[nH]4)CC3)cc2)CC1 ZINC000600208589 1112929630 /nfs/dbraw/zinc/92/96/30/1112929630.db2.gz NKDHBYRWZNTXLG-UHFFFAOYSA-N 1 2 370.500 4.041 20 30 FIEDLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000482835698 1113375652 /nfs/dbraw/zinc/37/56/52/1113375652.db2.gz FEDSCGKXNFIEID-UHFFFAOYSA-N 1 2 352.482 4.159 20 30 FIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160442859 1113379382 /nfs/dbraw/zinc/37/93/82/1113379382.db2.gz ZYSWXPBAPYGMLS-QGZVFWFLSA-N 1 2 372.428 4.057 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000482894408 1113393468 /nfs/dbraw/zinc/39/34/68/1113393468.db2.gz RJOCKZMUXHICOI-KRWDZBQOSA-N 1 2 362.477 4.300 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Br)cn1 ZINC000482975009 1113413270 /nfs/dbraw/zinc/41/32/70/1113413270.db2.gz GOWHREMNVIUTNC-JTQLQIEISA-N 1 2 350.647 4.220 20 30 FIEDLO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490053455 1114211212 /nfs/dbraw/zinc/21/12/12/1114211212.db2.gz KCZCZKQFPDTEMX-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490053455 1114211216 /nfs/dbraw/zinc/21/12/16/1114211216.db2.gz KCZCZKQFPDTEMX-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO C[C@@H](c1nnc(SCCCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000129499392 1114303647 /nfs/dbraw/zinc/30/36/47/1114303647.db2.gz ISXHKRZAAYYERF-ZDUSSCGKSA-N 1 2 363.918 4.329 20 30 FIEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000029530204 1114316455 /nfs/dbraw/zinc/31/64/55/1114316455.db2.gz OGCCHMVEYIUCJG-MRXNPFEDSA-N 1 2 354.885 4.107 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N/C1CC[NH+](Cc2ccncc2)CC1 ZINC000054892394 1114403762 /nfs/dbraw/zinc/40/37/62/1114403762.db2.gz JHGQRKVMLSMTMF-SSDVNMTOSA-N 1 2 364.276 4.178 20 30 FIEDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1)C[C@H](C)C#N ZINC000572047110 1114595643 /nfs/dbraw/zinc/59/56/43/1114595643.db2.gz XYLZFOREKSKOCZ-SNVBAGLBSA-N 1 2 360.093 4.193 20 30 FIEDLO CC[N@H+](Cc1cc(Br)cc(Br)c1)C[C@H](C)C#N ZINC000572047110 1114595647 /nfs/dbraw/zinc/59/56/47/1114595647.db2.gz XYLZFOREKSKOCZ-SNVBAGLBSA-N 1 2 360.093 4.193 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000590035816 1114881262 /nfs/dbraw/zinc/88/12/62/1114881262.db2.gz FUVJELDGCLJLCU-UHFFFAOYSA-N 1 2 374.469 4.010 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000058205593 1115138755 /nfs/dbraw/zinc/13/87/55/1115138755.db2.gz HAOLHKOCRCLAGU-UHFFFAOYSA-N 1 2 355.511 4.025 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000058205593 1115138756 /nfs/dbraw/zinc/13/87/56/1115138756.db2.gz HAOLHKOCRCLAGU-UHFFFAOYSA-N 1 2 355.511 4.025 20 30 FIEDLO COc1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1C#N ZINC000573674460 1115157123 /nfs/dbraw/zinc/15/71/23/1115157123.db2.gz KLHRXFLBMJXHKX-UHFFFAOYSA-N 1 2 358.445 4.379 20 30 FIEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000129741930 1115169854 /nfs/dbraw/zinc/16/98/54/1115169854.db2.gz YXRUAYURNHZEBN-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000129741930 1115169856 /nfs/dbraw/zinc/16/98/56/1115169856.db2.gz YXRUAYURNHZEBN-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO COc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2Br)CC1 ZINC000592145171 1115208332 /nfs/dbraw/zinc/20/83/32/1115208332.db2.gz PSKMDUCBRUAOEX-UHFFFAOYSA-N 1 2 357.251 4.108 20 30 FIEDLO COc1ccccc1C1([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000592145215 1115208403 /nfs/dbraw/zinc/20/84/03/1115208403.db2.gz RUEDBOYLWVCLKQ-UHFFFAOYSA-N 1 2 357.251 4.108 20 30 FIEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000594495099 1115449825 /nfs/dbraw/zinc/44/98/25/1115449825.db2.gz OUDYVNQQQDCPEN-FQEVSTJZSA-N 1 2 362.452 4.240 20 30 FIEDLO N#CC1(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCCC1 ZINC000597444899 1115666822 /nfs/dbraw/zinc/66/68/22/1115666822.db2.gz MKSGANQHYBQFMP-UHFFFAOYSA-N 1 2 360.461 4.404 20 30 FIEDLO N#CCCOCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000599636795 1115833537 /nfs/dbraw/zinc/83/35/37/1115833537.db2.gz ORTYUSOFCXGTAI-HNNXBMFYSA-N 1 2 357.679 4.170 20 30 FIEDLO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000599636795 1115833540 /nfs/dbraw/zinc/83/35/40/1115833540.db2.gz ORTYUSOFCXGTAI-HNNXBMFYSA-N 1 2 357.679 4.170 20 30 FIEDLO N#Cc1c(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cn2ccccc12 ZINC000606451061 1115945302 /nfs/dbraw/zinc/94/53/02/1115945302.db2.gz ITIHGUVZWMKOTN-KRWDZBQOSA-N 1 2 361.420 4.045 20 30 FIEDLO N#Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cn2ccccc12 ZINC000606451061 1115945305 /nfs/dbraw/zinc/94/53/05/1115945305.db2.gz ITIHGUVZWMKOTN-KRWDZBQOSA-N 1 2 361.420 4.045 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1C#N ZINC000534403414 1116196163 /nfs/dbraw/zinc/19/61/63/1116196163.db2.gz WTHFNHMPZBSGEE-JOCHJYFZSA-N 1 2 374.415 4.363 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc(OC)c1O ZINC000539818268 1116384934 /nfs/dbraw/zinc/38/49/34/1116384934.db2.gz OJSWIXGJGPSFKR-BTYIYWSLSA-N 1 2 371.452 4.230 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc(OC)c1O ZINC000539818268 1116384936 /nfs/dbraw/zinc/38/49/36/1116384936.db2.gz OJSWIXGJGPSFKR-BTYIYWSLSA-N 1 2 371.452 4.230 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC(F)F)cc1 ZINC000540321169 1117983115 /nfs/dbraw/zinc/98/31/15/1117983115.db2.gz XDLZVCROOKUWME-LBPRGKRZSA-N 1 2 370.359 4.060 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000540803177 1118255141 /nfs/dbraw/zinc/25/51/41/1118255141.db2.gz KYKLUDZBGXQAJT-UHFFFAOYSA-N 1 2 355.363 4.032 20 30 FIEDLO N#CCC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000541024381 1118352466 /nfs/dbraw/zinc/35/24/66/1118352466.db2.gz XFHNNERUEOGJHA-UHFFFAOYSA-N 1 2 365.502 4.402 20 30 FIEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(Br)c1 ZINC000541189975 1118412982 /nfs/dbraw/zinc/41/29/82/1118412982.db2.gz OJLFRPPFZBNNFC-UHFFFAOYSA-N 1 2 373.298 4.214 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)C2CC2)cc1 ZINC000541389539 1118491691 /nfs/dbraw/zinc/49/16/91/1118491691.db2.gz QKQJCIKNMXIXBI-UHFFFAOYSA-N 1 2 364.399 4.187 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C2CC2)cc1 ZINC000541389539 1118491693 /nfs/dbraw/zinc/49/16/93/1118491693.db2.gz QKQJCIKNMXIXBI-UHFFFAOYSA-N 1 2 364.399 4.187 20 30 FIEDLO Fc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000541770781 1118643945 /nfs/dbraw/zinc/64/39/45/1118643945.db2.gz FRIZYEPETLDXPA-UHFFFAOYSA-N 1 2 357.269 4.461 20 30 FIEDLO Fc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000541770781 1118643950 /nfs/dbraw/zinc/64/39/50/1118643950.db2.gz FRIZYEPETLDXPA-UHFFFAOYSA-N 1 2 357.269 4.461 20 30 FIEDLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1cc(C#N)ccc1F ZINC000030205982 1118977348 /nfs/dbraw/zinc/97/73/48/1118977348.db2.gz GJDPEUWNYGIIPQ-UHFFFAOYSA-N 1 2 360.816 4.144 20 30 FIEDLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1cc(C#N)ccc1F ZINC000030205982 1118977350 /nfs/dbraw/zinc/97/73/50/1118977350.db2.gz GJDPEUWNYGIIPQ-UHFFFAOYSA-N 1 2 360.816 4.144 20 30 FIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)c(C#N)c3nc4ccccc4n31)CCC2 ZINC000443901451 1119063698 /nfs/dbraw/zinc/06/36/98/1119063698.db2.gz YKDKREVGSSLKPR-MRXNPFEDSA-N 1 2 370.460 4.162 20 30 FIEDLO C=CCC[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000187531772 1119788327 /nfs/dbraw/zinc/78/83/27/1119788327.db2.gz UFEKZMKCGVINFO-JOCHJYFZSA-N 1 2 359.473 4.298 20 30 FIEDLO Cc1cnc([C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C2CC2)s1 ZINC000191824879 1119997590 /nfs/dbraw/zinc/99/75/90/1119997590.db2.gz SEAKGMFFWAYSQI-HNNXBMFYSA-N 1 2 362.296 4.327 20 30 FIEDLO N#CC1CC[NH+](Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000195312406 1120142915 /nfs/dbraw/zinc/14/29/15/1120142915.db2.gz PVAACFYNTDGPDR-UHFFFAOYSA-N 1 2 362.296 4.308 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000761759335 1120348863 /nfs/dbraw/zinc/34/88/63/1120348863.db2.gz CSAOJJOPZLWVRD-QHCPKHFHSA-N 1 2 358.441 4.164 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000761759335 1120348866 /nfs/dbraw/zinc/34/88/66/1120348866.db2.gz CSAOJJOPZLWVRD-QHCPKHFHSA-N 1 2 358.441 4.164 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000914566737 1120372543 /nfs/dbraw/zinc/37/25/43/1120372543.db2.gz FWNDQYZTSWUGAV-UHFFFAOYSA-N 1 2 360.502 4.484 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000914566737 1120372548 /nfs/dbraw/zinc/37/25/48/1120372548.db2.gz FWNDQYZTSWUGAV-UHFFFAOYSA-N 1 2 360.502 4.484 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762145565 1120736466 /nfs/dbraw/zinc/73/64/66/1120736466.db2.gz VYZHXUNXJCUPQH-INIZCTEOSA-N 1 2 369.538 4.274 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762145565 1120736470 /nfs/dbraw/zinc/73/64/70/1120736470.db2.gz VYZHXUNXJCUPQH-INIZCTEOSA-N 1 2 369.538 4.274 20 30 FIEDLO Cc1cccc([C@H](C/N=C\c2c(O)ccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000915114051 1120820774 /nfs/dbraw/zinc/82/07/74/1120820774.db2.gz ARIJEEXBRUINRT-NAZSJVEXSA-N 1 2 374.484 4.346 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)c1 ZINC000237352469 1120976183 /nfs/dbraw/zinc/97/61/83/1120976183.db2.gz VZRVNOFRCNRGBZ-OAHLLOKOSA-N 1 2 365.433 4.161 20 30 FIEDLO CCN(CC)c1ncc(C=[NH+]NCc2ccc(C(F)(F)F)cc2)s1 ZINC000915972304 1121358088 /nfs/dbraw/zinc/35/80/88/1121358088.db2.gz LSCKTYCUZJEQPL-UHFFFAOYSA-N 1 2 356.417 4.132 20 30 FIEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]Nc1cccc2ncccc21 ZINC000915964823 1121364865 /nfs/dbraw/zinc/36/48/65/1121364865.db2.gz QHIXDZIENVNSAL-UHFFFAOYSA-N 1 2 366.852 4.171 20 30 FIEDLO N#Cc1ccccc1/C=C\C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000916060927 1121396832 /nfs/dbraw/zinc/39/68/32/1121396832.db2.gz QOJBRRIMMUDFDB-RAXLEYEMSA-N 1 2 368.440 4.410 20 30 FIEDLO CC[N@H+](CCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000917130346 1122187130 /nfs/dbraw/zinc/18/71/30/1122187130.db2.gz GYFRZBYRKXHBEG-KRWDZBQOSA-N 1 2 363.486 4.037 20 30 FIEDLO CC[N@@H+](CCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000917130346 1122187139 /nfs/dbraw/zinc/18/71/39/1122187139.db2.gz GYFRZBYRKXHBEG-KRWDZBQOSA-N 1 2 363.486 4.037 20 30 FIEDLO Cc1ccc([C@@H](C/N=C/c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000917557205 1122361360 /nfs/dbraw/zinc/36/13/60/1122361360.db2.gz ARBAIOBCIHEGPV-DZQSVEARSA-N 1 2 374.484 4.346 20 30 FIEDLO CCCCCCC[C@H](C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000918137151 1122569123 /nfs/dbraw/zinc/56/91/23/1122569123.db2.gz WKRHMPAQFLXHBE-SFHVURJKSA-N 1 2 360.546 4.346 20 30 FIEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000615227680 1122855873 /nfs/dbraw/zinc/85/58/73/1122855873.db2.gz CFKCFVSFGSYOEQ-PHIMTYICSA-N 1 2 356.697 4.384 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000615227680 1122855880 /nfs/dbraw/zinc/85/58/80/1122855880.db2.gz CFKCFVSFGSYOEQ-PHIMTYICSA-N 1 2 356.697 4.384 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccc(OC)cc1 ZINC000130605796 1122884310 /nfs/dbraw/zinc/88/43/10/1122884310.db2.gz KBTJUEDRGLWPTI-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccc(OC)cc1 ZINC000130605796 1122884313 /nfs/dbraw/zinc/88/43/13/1122884313.db2.gz KBTJUEDRGLWPTI-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000556913604 1123221368 /nfs/dbraw/zinc/22/13/68/1123221368.db2.gz UPXSLPKWXYXVSF-OAQYLSRUSA-N 1 2 351.425 4.003 20 30 FIEDLO CC1CC[NH+]([C@@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)c2cccs2)CC1 ZINC000920944253 1123540096 /nfs/dbraw/zinc/54/00/96/1123540096.db2.gz SKVYOLDUDFIFQB-BRLDDBHUSA-N 1 2 373.478 4.254 20 30 FIEDLO N#Cc1cnc2ccc(Cl)cc2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301371704 1124223509 /nfs/dbraw/zinc/22/35/09/1124223509.db2.gz PTQGUKAYVHGABG-UHFFFAOYSA-N 1 2 363.852 4.236 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301564743 1124242394 /nfs/dbraw/zinc/24/23/94/1124242394.db2.gz VXNFRCBYJFAREZ-UHFFFAOYSA-N 1 2 371.419 4.411 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000554701474 1124374309 /nfs/dbraw/zinc/37/43/09/1124374309.db2.gz SKTSTPNZVFFSBZ-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246997790 1124579274 /nfs/dbraw/zinc/57/92/74/1124579274.db2.gz QYEXTBUWHMTMDE-HIFRSBDPSA-N 1 2 352.265 4.280 20 30 FIEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246997790 1124579280 /nfs/dbraw/zinc/57/92/80/1124579280.db2.gz QYEXTBUWHMTMDE-HIFRSBDPSA-N 1 2 352.265 4.280 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140202194 1124588561 /nfs/dbraw/zinc/58/85/61/1124588561.db2.gz GPRJCVPHJKWHLG-IBGZPJMESA-N 1 2 367.518 4.444 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140202194 1124588567 /nfs/dbraw/zinc/58/85/67/1124588567.db2.gz GPRJCVPHJKWHLG-IBGZPJMESA-N 1 2 367.518 4.444 20 30 FIEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615667 1124723978 /nfs/dbraw/zinc/72/39/78/1124723978.db2.gz DDXUHQGHUAMLJM-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615667 1124723983 /nfs/dbraw/zinc/72/39/83/1124723983.db2.gz DDXUHQGHUAMLJM-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000615227681 1124846983 /nfs/dbraw/zinc/84/69/83/1124846983.db2.gz CFKCFVSFGSYOEQ-QWRGUYRKSA-N 1 2 356.697 4.384 20 30 FIEDLO C=C(C)[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC000251677887 1125016901 /nfs/dbraw/zinc/01/69/01/1125016901.db2.gz MWWPIBSPCYCBCO-ZMYBRWDISA-N 1 2 374.435 4.071 20 30 FIEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH+]c2c1 ZINC000408226684 568053573 /nfs/dbraw/zinc/05/35/73/568053573.db2.gz OVDFUCXRXRFFGL-MRXNPFEDSA-N 1 2 357.461 4.011 20 30 FIEDLO Cc1c2c(nc(SCc3cn4cc(Cl)ccc4[nH+]3)c1C#N)CCC2 ZINC000024851701 568179982 /nfs/dbraw/zinc/17/99/82/568179982.db2.gz MGIGNXAWCKGLNF-UHFFFAOYSA-N 1 2 354.866 4.344 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000604276377 568239932 /nfs/dbraw/zinc/23/99/32/568239932.db2.gz LHALCUMPVUKRDB-VXGBXAGGSA-N 1 2 354.269 4.260 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000303333606 568266316 /nfs/dbraw/zinc/26/63/16/568266316.db2.gz UDKVEWKYUIYGCL-OAHLLOKOSA-N 1 2 373.859 4.246 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000303333606 568266317 /nfs/dbraw/zinc/26/63/17/568266317.db2.gz UDKVEWKYUIYGCL-OAHLLOKOSA-N 1 2 373.859 4.246 20 30 FIEDLO C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1n1cc[nH+]c1 ZINC000570275504 568472196 /nfs/dbraw/zinc/47/21/96/568472196.db2.gz IIWKVUNPHPHIPK-CXAGYDPISA-N 1 2 351.841 4.044 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266089 568489593 /nfs/dbraw/zinc/48/95/93/568489593.db2.gz JGTZGWIICNDQDH-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266089 568489594 /nfs/dbraw/zinc/48/95/94/568489594.db2.gz JGTZGWIICNDQDH-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ncc(Br)s1 ZINC000619755634 1125680968 /nfs/dbraw/zinc/68/09/68/1125680968.db2.gz ODAARHAXTTVDDA-QMMMGPOBSA-N 1 2 356.676 4.281 20 30 FIEDLO CCc1cc(OCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2[nH+]1 ZINC000092333888 1079775069 /nfs/dbraw/zinc/77/50/69/1079775069.db2.gz BTJNJYGQYFTZCO-UHFFFAOYSA-N 1 2 356.385 4.298 20 30 FIEDLO Cn1cc(C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)cn1 ZINC000430271155 1080293471 /nfs/dbraw/zinc/29/34/71/1080293471.db2.gz XCBBLSGBLOURCR-UHFFFAOYSA-N 1 2 367.855 4.267 20 30 FIEDLO Cn1cc(C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)cn1 ZINC000430271155 1080293475 /nfs/dbraw/zinc/29/34/75/1080293475.db2.gz XCBBLSGBLOURCR-UHFFFAOYSA-N 1 2 367.855 4.267 20 30 FIEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC001203389199 1080785734 /nfs/dbraw/zinc/78/57/34/1080785734.db2.gz YIMXVXFLSYVWQH-UHFFFAOYSA-N 1 2 369.292 4.214 20 30 FIEDLO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1cccc(C#N)c1 ZINC000121031075 1081211597 /nfs/dbraw/zinc/21/15/97/1081211597.db2.gz KEYANGWDUTZLLQ-UHFFFAOYSA-N 1 2 364.474 4.181 20 30 FIEDLO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1cccc(C#N)c1 ZINC000121031075 1081211599 /nfs/dbraw/zinc/21/15/99/1081211599.db2.gz KEYANGWDUTZLLQ-UHFFFAOYSA-N 1 2 364.474 4.181 20 30 FIEDLO C=CCCn1cc(C[NH2+][C@H](c2ccc(C)cc2)c2ccc(OC)cc2)nn1 ZINC000656115259 1081585315 /nfs/dbraw/zinc/58/53/15/1081585315.db2.gz XEYVVOUCJHUHGK-JOCHJYFZSA-N 1 2 362.477 4.050 20 30 FIEDLO CCOc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000683831901 1081743450 /nfs/dbraw/zinc/74/34/50/1081743450.db2.gz HPHFAOBHUZPNSP-QWRGUYRKSA-N 1 2 359.285 4.397 20 30 FIEDLO C[C@@H](C#N)CN(C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000580438121 1081947613 /nfs/dbraw/zinc/94/76/13/1081947613.db2.gz BRIXWEONZVBTCY-HNNXBMFYSA-N 1 2 363.465 4.042 20 30 FIEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537294956 1082036880 /nfs/dbraw/zinc/03/68/80/1082036880.db2.gz HLOLPUGNXFVTNR-IFXJQAMLSA-N 1 2 350.853 4.385 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780494087 1082257666 /nfs/dbraw/zinc/25/76/66/1082257666.db2.gz BBQQHYVOGRKUFV-SFHVURJKSA-N 1 2 371.554 4.378 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780494087 1082257674 /nfs/dbraw/zinc/25/76/74/1082257674.db2.gz BBQQHYVOGRKUFV-SFHVURJKSA-N 1 2 371.554 4.378 20 30 FIEDLO C=CC[N@@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000121421398 1082738099 /nfs/dbraw/zinc/73/80/99/1082738099.db2.gz VJMBSUKDNZYVCM-UHFFFAOYSA-N 1 2 353.285 4.199 20 30 FIEDLO C=CC[N@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000121421398 1082738101 /nfs/dbraw/zinc/73/81/01/1082738101.db2.gz VJMBSUKDNZYVCM-UHFFFAOYSA-N 1 2 353.285 4.199 20 30 FIEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)no1 ZINC000328810827 1082832372 /nfs/dbraw/zinc/83/23/72/1082832372.db2.gz ATIRDFWUBNQIAT-NVXWUHKLSA-N 1 2 362.518 4.298 20 30 FIEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)no1 ZINC000328810827 1082832374 /nfs/dbraw/zinc/83/23/74/1082832374.db2.gz ATIRDFWUBNQIAT-NVXWUHKLSA-N 1 2 362.518 4.298 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430903165 1083228469 /nfs/dbraw/zinc/22/84/69/1083228469.db2.gz GBHLKQXOKBMSIY-KRWDZBQOSA-N 1 2 374.916 4.493 20 30 FIEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1nc(C2CC2)cs1 ZINC000647379875 1083377031 /nfs/dbraw/zinc/37/70/31/1083377031.db2.gz ULSRBNKJVLUIRV-QGZVFWFLSA-N 1 2 351.475 4.106 20 30 FIEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 ZINC000612346058 1083736391 /nfs/dbraw/zinc/73/63/91/1083736391.db2.gz CPGOGGGYYJMPOX-UHFFFAOYSA-N 1 2 357.417 4.015 20 30 FIEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000612405724 1083779926 /nfs/dbraw/zinc/77/99/26/1083779926.db2.gz CJKXWDVTRQNBHN-JOCHJYFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000612405724 1083779934 /nfs/dbraw/zinc/77/99/34/1083779934.db2.gz CJKXWDVTRQNBHN-JOCHJYFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1ccc(C#N)cc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610953117 1083875435 /nfs/dbraw/zinc/87/54/35/1083875435.db2.gz TXRHKTVPDYKFRK-STQMWFEESA-N 1 2 366.305 4.130 20 30 FIEDLO N#Cc1cc(C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)ccn1 ZINC000610991269 1083933977 /nfs/dbraw/zinc/93/39/77/1083933977.db2.gz BZKMHYDFJIUOBZ-UHFFFAOYSA-N 1 2 360.230 4.019 20 30 FIEDLO N#Cc1cc(C[N@H+](Cc2cc(Br)ccc2F)C2CC2)ccn1 ZINC000610991269 1083933980 /nfs/dbraw/zinc/93/39/80/1083933980.db2.gz BZKMHYDFJIUOBZ-UHFFFAOYSA-N 1 2 360.230 4.019 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccco1 ZINC000151122923 1083963526 /nfs/dbraw/zinc/96/35/26/1083963526.db2.gz KSGLOWYYHRMPOO-KSFYIVLOSA-N 1 2 362.429 4.458 20 30 FIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccco1 ZINC000151122868 1083963673 /nfs/dbraw/zinc/96/36/73/1083963673.db2.gz KSGLOWYYHRMPOO-ZHRRBRCNSA-N 1 2 362.429 4.458 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc(C#N)c1 ZINC000613127593 1084370444 /nfs/dbraw/zinc/37/04/44/1084370444.db2.gz JGPHCHDVYRFVPP-CYBMUJFWSA-N 1 2 364.474 4.399 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405919 1084635637 /nfs/dbraw/zinc/63/56/37/1084635637.db2.gz FDPIUNQMMWHGEP-LLVKDONJSA-N 1 2 373.806 4.203 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C2CC2)cc1 ZINC000170953369 1085009016 /nfs/dbraw/zinc/00/90/16/1085009016.db2.gz NIWWGZQWQKRTSF-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C2CC2)cc1 ZINC000170953369 1085009027 /nfs/dbraw/zinc/00/90/27/1085009027.db2.gz NIWWGZQWQKRTSF-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000375726881 1085331690 /nfs/dbraw/zinc/33/16/90/1085331690.db2.gz YZGQNQBOAVYIRK-RTWAWAEBSA-N 1 2 360.461 4.131 20 30 FIEDLO COc1ccc(F)cc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450315 1085468728 /nfs/dbraw/zinc/46/87/28/1085468728.db2.gz LUQHNPHDJDHKQF-QWRGUYRKSA-N 1 2 359.285 4.397 20 30 FIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661413271 1085559449 /nfs/dbraw/zinc/55/94/49/1085559449.db2.gz CGSMYMDGCUZIIV-MISYRCLQSA-N 1 2 366.509 4.138 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000065604071 1085661382 /nfs/dbraw/zinc/66/13/82/1085661382.db2.gz XQUHZLNCAHHCME-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000065604071 1085661385 /nfs/dbraw/zinc/66/13/85/1085661385.db2.gz XQUHZLNCAHHCME-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000511195621 1085691500 /nfs/dbraw/zinc/69/15/00/1085691500.db2.gz ANFLSTRPQMLKJW-UHFFFAOYSA-N 1 2 372.472 4.464 20 30 FIEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000511195621 1085691503 /nfs/dbraw/zinc/69/15/03/1085691503.db2.gz ANFLSTRPQMLKJW-UHFFFAOYSA-N 1 2 372.472 4.464 20 30 FIEDLO C[C@@H](Sc1ccccc1)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583317893 1086559174 /nfs/dbraw/zinc/55/91/74/1086559174.db2.gz DFLQOAGGKAXTHG-YLJYHZDGSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@@H](Sc1ccccc1)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583317893 1086559185 /nfs/dbraw/zinc/55/91/85/1086559185.db2.gz DFLQOAGGKAXTHG-YLJYHZDGSA-N 1 2 369.534 4.158 20 30 FIEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000583664241 1086906612 /nfs/dbraw/zinc/90/66/12/1086906612.db2.gz QJZZVSLXANKCIR-UHFFFAOYSA-N 1 2 365.260 4.384 20 30 FIEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000583664241 1086906614 /nfs/dbraw/zinc/90/66/14/1086906614.db2.gz QJZZVSLXANKCIR-UHFFFAOYSA-N 1 2 365.260 4.384 20 30 FIEDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611791399 1086992655 /nfs/dbraw/zinc/99/26/55/1086992655.db2.gz TXCDZJUKOMNTNZ-KRWDZBQOSA-N 1 2 358.445 4.079 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187275378 1088146490 /nfs/dbraw/zinc/14/64/90/1088146490.db2.gz DESBANWNSPMMFJ-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187275378 1088146502 /nfs/dbraw/zinc/14/65/02/1088146502.db2.gz DESBANWNSPMMFJ-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO C=CCC[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000187809114 1088222196 /nfs/dbraw/zinc/22/21/96/1088222196.db2.gz AQMLOLOWRAYLCK-QFIPXVFZSA-N 1 2 373.500 4.340 20 30 FIEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)cc1 ZINC000189200156 1088457237 /nfs/dbraw/zinc/45/72/37/1088457237.db2.gz SEVKAHWWNGQGFT-UHFFFAOYSA-N 1 2 362.820 4.068 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000514916973 1089604533 /nfs/dbraw/zinc/60/45/33/1089604533.db2.gz DYPKMEAUGVLSLD-UHFFFAOYSA-N 1 2 373.909 4.336 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000514916973 1089604542 /nfs/dbraw/zinc/60/45/42/1089604542.db2.gz DYPKMEAUGVLSLD-UHFFFAOYSA-N 1 2 373.909 4.336 20 30 FIEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000472837933 1089713736 /nfs/dbraw/zinc/71/37/36/1089713736.db2.gz UQADVYQJVFLEAG-HXUWFJFHSA-N 1 2 370.456 4.221 20 30 FIEDLO C=CCC[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000187848533 1090064657 /nfs/dbraw/zinc/06/46/57/1090064657.db2.gz QKMUFPMCFRKBSY-QFIPXVFZSA-N 1 2 364.489 4.207 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000123890432 1091280190 /nfs/dbraw/zinc/28/01/90/1091280190.db2.gz XYIGSOLPQNHYJC-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000123890432 1091280193 /nfs/dbraw/zinc/28/01/93/1091280193.db2.gz XYIGSOLPQNHYJC-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000521142458 1092524548 /nfs/dbraw/zinc/52/45/48/1092524548.db2.gz RBFFZOGAZVYEKC-UHFFFAOYSA-N 1 2 372.472 4.101 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000512512198 1092607195 /nfs/dbraw/zinc/60/71/95/1092607195.db2.gz RLDMTWYZIUWVSO-SFHVURJKSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000512512198 1092607201 /nfs/dbraw/zinc/60/72/01/1092607201.db2.gz RLDMTWYZIUWVSO-SFHVURJKSA-N 1 2 354.498 4.178 20 30 FIEDLO C[C@](CO)([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000614168194 1093039196 /nfs/dbraw/zinc/03/91/96/1093039196.db2.gz WZEANDQNWZFLDF-QGZVFWFLSA-N 1 2 368.786 4.228 20 30 FIEDLO N#CCCC[C@@H]([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000433028552 1093130522 /nfs/dbraw/zinc/13/05/22/1093130522.db2.gz ZULWLMMRFFBWMQ-LJQANCHMSA-N 1 2 364.424 4.324 20 30 FIEDLO N#Cc1csc(C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000419229658 1093163210 /nfs/dbraw/zinc/16/32/10/1093163210.db2.gz PDANBWNESYNHKD-UHFFFAOYSA-N 1 2 367.305 4.034 20 30 FIEDLO N#Cc1csc(C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000419229658 1093163214 /nfs/dbraw/zinc/16/32/14/1093163214.db2.gz PDANBWNESYNHKD-UHFFFAOYSA-N 1 2 367.305 4.034 20 30 FIEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000509774504 1093184799 /nfs/dbraw/zinc/18/47/99/1093184799.db2.gz SDXWUGWAWWLUMX-MRXNPFEDSA-N 1 2 350.491 4.251 20 30 FIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000509774504 1093184802 /nfs/dbraw/zinc/18/48/02/1093184802.db2.gz SDXWUGWAWWLUMX-MRXNPFEDSA-N 1 2 350.491 4.251 20 30 FIEDLO CC(C)c1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 ZINC000512849726 1093448111 /nfs/dbraw/zinc/44/81/11/1093448111.db2.gz GDDWBZPMCLHPMM-UHFFFAOYSA-N 1 2 359.470 4.321 20 30 FIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513039312 1093687978 /nfs/dbraw/zinc/68/79/78/1093687978.db2.gz ZNBZQRHMLLLSSD-UHFFFAOYSA-N 1 2 371.893 4.475 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025399167 1093713784 /nfs/dbraw/zinc/71/37/84/1093713784.db2.gz QTVVGCFMXLKLNP-FQEVSTJZSA-N 1 2 373.481 4.206 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025399167 1093713791 /nfs/dbraw/zinc/71/37/91/1093713791.db2.gz QTVVGCFMXLKLNP-FQEVSTJZSA-N 1 2 373.481 4.206 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000614352886 1093728321 /nfs/dbraw/zinc/72/83/21/1093728321.db2.gz QZZPAGKPEKNJRM-QHCPKHFHSA-N 1 2 366.505 4.197 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000614352886 1093728326 /nfs/dbraw/zinc/72/83/26/1093728326.db2.gz QZZPAGKPEKNJRM-QHCPKHFHSA-N 1 2 366.505 4.197 20 30 FIEDLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000501562707 1094781880 /nfs/dbraw/zinc/78/18/80/1094781880.db2.gz ZHTHQXSOSCBGJZ-CYBMUJFWSA-N 1 2 350.447 4.181 20 30 FIEDLO C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)n1cc[nH+]c1 ZINC001268921462 1094787176 /nfs/dbraw/zinc/78/71/76/1094787176.db2.gz DLIJOEPGEZRFAC-SJORKVTESA-N 1 2 358.445 4.250 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)Nc1ccccc1 ZINC000329433912 1094904837 /nfs/dbraw/zinc/90/48/37/1094904837.db2.gz JBKIUCOYVNQAPZ-KRWDZBQOSA-N 1 2 367.497 4.320 20 30 FIEDLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)Nc1ccccc1 ZINC000329433912 1094904841 /nfs/dbraw/zinc/90/48/41/1094904841.db2.gz JBKIUCOYVNQAPZ-KRWDZBQOSA-N 1 2 367.497 4.320 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329637455 1095036109 /nfs/dbraw/zinc/03/61/09/1095036109.db2.gz AFYSXQJSCATPDA-RXVVDRJESA-N 1 2 366.509 4.463 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329637455 1095036121 /nfs/dbraw/zinc/03/61/21/1095036121.db2.gz AFYSXQJSCATPDA-RXVVDRJESA-N 1 2 366.509 4.463 20 30 FIEDLO CC(C)(C[NH+]=C([O-])N1CCC(c2c[nH+]c[nH]2)CC1)Cc1cccc(Cl)c1 ZINC000329780937 1095262971 /nfs/dbraw/zinc/26/29/71/1095262971.db2.gz SHHBXOXTCFNHPT-UHFFFAOYSA-N 1 2 374.916 4.425 20 30 FIEDLO O=C(NCC1(C2CC2)CC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329812570 1095274108 /nfs/dbraw/zinc/27/41/08/1095274108.db2.gz NBTWBMCXDXIJOQ-UHFFFAOYSA-N 1 2 350.466 4.403 20 30 FIEDLO CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCS1 ZINC000329836724 1095286016 /nfs/dbraw/zinc/28/60/16/1095286016.db2.gz VEXZAKLLXODOTG-GOSISDBHSA-N 1 2 370.522 4.259 20 30 FIEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000329848371 1095292613 /nfs/dbraw/zinc/29/26/13/1095292613.db2.gz YZRYPHRYHGHPJG-WBMJQRKESA-N 1 2 363.552 4.158 20 30 FIEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000329848371 1095292628 /nfs/dbraw/zinc/29/26/28/1095292628.db2.gz YZRYPHRYHGHPJG-WBMJQRKESA-N 1 2 363.552 4.158 20 30 FIEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3CCC[C@H](C)C3)c2)CC1 ZINC000329951071 1095327645 /nfs/dbraw/zinc/32/76/45/1095327645.db2.gz ICJSCXAYDPBTOZ-PKOBYXMFSA-N 1 2 371.525 4.155 20 30 FIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330101060 1095382780 /nfs/dbraw/zinc/38/27/80/1095382780.db2.gz FEZHEPIGWBURBJ-YVHKJVDXSA-N 1 2 368.477 4.086 20 30 FIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330101060 1095382793 /nfs/dbraw/zinc/38/27/93/1095382793.db2.gz FEZHEPIGWBURBJ-YVHKJVDXSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330157700 1095399255 /nfs/dbraw/zinc/39/92/55/1095399255.db2.gz POGBRXFQOOUGIS-CECAUBDESA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330157700 1095399271 /nfs/dbraw/zinc/39/92/71/1095399271.db2.gz POGBRXFQOOUGIS-CECAUBDESA-N 1 2 368.477 4.086 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330168551 1095401243 /nfs/dbraw/zinc/40/12/43/1095401243.db2.gz CSTMZEOATDGKMQ-IPMKNSEASA-N 1 2 352.482 4.230 20 30 FIEDLO CC(C)(C)c1ccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330201001 1095413344 /nfs/dbraw/zinc/41/33/44/1095413344.db2.gz XDTCMSFCAAXLAF-MOPGFXCFSA-N 1 2 366.509 4.247 20 30 FIEDLO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330258644 1095437237 /nfs/dbraw/zinc/43/72/37/1095437237.db2.gz MQUHKLVZDXMANA-ZDUSSCGKSA-N 1 2 364.902 4.296 20 30 FIEDLO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330258644 1095437245 /nfs/dbraw/zinc/43/72/45/1095437245.db2.gz MQUHKLVZDXMANA-ZDUSSCGKSA-N 1 2 364.902 4.296 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330258643 1095437321 /nfs/dbraw/zinc/43/73/21/1095437321.db2.gz MQUHKLVZDXMANA-CYBMUJFWSA-N 1 2 364.902 4.296 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330258643 1095437329 /nfs/dbraw/zinc/43/73/29/1095437329.db2.gz MQUHKLVZDXMANA-CYBMUJFWSA-N 1 2 364.902 4.296 20 30 FIEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330263583 1095440768 /nfs/dbraw/zinc/44/07/68/1095440768.db2.gz WSMGAPPBOGCHMQ-ZDUSSCGKSA-N 1 2 363.552 4.304 20 30 FIEDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330263583 1095440774 /nfs/dbraw/zinc/44/07/74/1095440774.db2.gz WSMGAPPBOGCHMQ-ZDUSSCGKSA-N 1 2 363.552 4.304 20 30 FIEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000502502334 1095518903 /nfs/dbraw/zinc/51/89/03/1095518903.db2.gz ZHZVYGSYKITYHI-MRXNPFEDSA-N 1 2 363.436 4.122 20 30 FIEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000502502334 1095518916 /nfs/dbraw/zinc/51/89/16/1095518916.db2.gz ZHZVYGSYKITYHI-MRXNPFEDSA-N 1 2 363.436 4.122 20 30 FIEDLO Cc1cc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000502529000 1095544495 /nfs/dbraw/zinc/54/44/95/1095544495.db2.gz MRGJXTJDMMLRCE-UHFFFAOYSA-N 1 2 374.419 4.345 20 30 FIEDLO Cc1cc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000502529000 1095544500 /nfs/dbraw/zinc/54/45/00/1095544500.db2.gz MRGJXTJDMMLRCE-UHFFFAOYSA-N 1 2 374.419 4.345 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522981191 1095930824 /nfs/dbraw/zinc/93/08/24/1095930824.db2.gz AIOYXGVGZOVULE-KRWDZBQOSA-N 1 2 367.896 4.051 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522981191 1095930828 /nfs/dbraw/zinc/93/08/28/1095930828.db2.gz AIOYXGVGZOVULE-KRWDZBQOSA-N 1 2 367.896 4.051 20 30 FIEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272482072 1096185231 /nfs/dbraw/zinc/18/52/31/1096185231.db2.gz BDYRHUORTYOIJQ-HXUWFJFHSA-N 1 2 363.461 4.001 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1cc(Br)cc(Br)c1)C1CC1 ZINC000577542153 1096549143 /nfs/dbraw/zinc/54/91/43/1096549143.db2.gz KGCHOXUMBGWGBJ-SNVBAGLBSA-N 1 2 372.104 4.336 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Br)cc(Br)c1)C1CC1 ZINC000577542153 1096549146 /nfs/dbraw/zinc/54/91/46/1096549146.db2.gz KGCHOXUMBGWGBJ-SNVBAGLBSA-N 1 2 372.104 4.336 20 30 FIEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000532939212 1098614840 /nfs/dbraw/zinc/61/48/40/1098614840.db2.gz XQGDTQNNAPNKCX-QHCPKHFHSA-N 1 2 367.452 4.027 20 30 FIEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000532939212 1098614844 /nfs/dbraw/zinc/61/48/44/1098614844.db2.gz XQGDTQNNAPNKCX-QHCPKHFHSA-N 1 2 367.452 4.027 20 30 FIEDLO CC[C@@H](C#N)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000436049092 1098677001 /nfs/dbraw/zinc/67/70/01/1098677001.db2.gz KZMZFMURJKUPDK-RDJZCZTQSA-N 1 2 355.511 4.208 20 30 FIEDLO C=C(C)[C@H](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)OCC ZINC000436163533 1098782378 /nfs/dbraw/zinc/78/23/78/1098782378.db2.gz QYSZARSEIJUSAP-IBGZPJMESA-N 1 2 353.466 4.196 20 30 FIEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533540015 1099146890 /nfs/dbraw/zinc/14/68/90/1099146890.db2.gz KCSXERSBXRQHCL-KRWDZBQOSA-N 1 2 369.484 4.036 20 30 FIEDLO N#C[C@@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2s1 ZINC000436696166 1099230227 /nfs/dbraw/zinc/23/02/27/1099230227.db2.gz HCZXWCSXZFUPAG-INIZCTEOSA-N 1 2 358.426 4.031 20 30 FIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1C#N ZINC000533761588 1099907371 /nfs/dbraw/zinc/90/73/71/1099907371.db2.gz OSGBYXYXEOIZIH-UHFFFAOYSA-N 1 2 354.498 4.072 20 30 FIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000533761588 1099907374 /nfs/dbraw/zinc/90/73/74/1099907374.db2.gz OSGBYXYXEOIZIH-UHFFFAOYSA-N 1 2 354.498 4.072 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000438102793 1100430457 /nfs/dbraw/zinc/43/04/57/1100430457.db2.gz WMVUKBYMKLUVRX-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000438102793 1100430462 /nfs/dbraw/zinc/43/04/62/1100430462.db2.gz WMVUKBYMKLUVRX-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000517799702 1100674000 /nfs/dbraw/zinc/67/40/00/1100674000.db2.gz PXHHXNTZGCNLOH-UHFFFAOYSA-N 1 2 370.456 4.242 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000438481483 1100684563 /nfs/dbraw/zinc/68/45/63/1100684563.db2.gz XSFFNCGRQCZQTR-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000438481483 1100684564 /nfs/dbraw/zinc/68/45/64/1100684564.db2.gz XSFFNCGRQCZQTR-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536948419 1101369457 /nfs/dbraw/zinc/36/94/57/1101369457.db2.gz RRTPZEHJCJXSBY-ROUUACIJSA-N 1 2 367.896 4.222 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536948419 1101369466 /nfs/dbraw/zinc/36/94/66/1101369466.db2.gz RRTPZEHJCJXSBY-ROUUACIJSA-N 1 2 367.896 4.222 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000537039335 1101398638 /nfs/dbraw/zinc/39/86/38/1101398638.db2.gz MUDIGPDSRZAYQS-AEFFLSMTSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000537039335 1101398643 /nfs/dbraw/zinc/39/86/43/1101398643.db2.gz MUDIGPDSRZAYQS-AEFFLSMTSA-N 1 2 365.235 4.094 20 30 FIEDLO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)cc2Cl)C2CC2)c1 ZINC000439440392 1101440525 /nfs/dbraw/zinc/44/05/25/1101440525.db2.gz PUUVOZOAYFJSBC-UHFFFAOYSA-N 1 2 356.853 4.393 20 30 FIEDLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2Cl)C2CC2)c1 ZINC000439440392 1101440532 /nfs/dbraw/zinc/44/05/32/1101440532.db2.gz PUUVOZOAYFJSBC-UHFFFAOYSA-N 1 2 356.853 4.393 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c(C#N)c1C ZINC000053116782 1101638888 /nfs/dbraw/zinc/63/88/88/1101638888.db2.gz RCNAHCIAGFBBNV-UHFFFAOYSA-N 1 2 366.248 4.145 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c(C#N)c1C ZINC000053116782 1101638891 /nfs/dbraw/zinc/63/88/91/1101638891.db2.gz RCNAHCIAGFBBNV-UHFFFAOYSA-N 1 2 366.248 4.145 20 30 FIEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4cc(Br)ccc4C3=O)n2c1 ZINC000760229945 1101887123 /nfs/dbraw/zinc/88/71/23/1101887123.db2.gz PTKCVGWQIBOBCZ-JYRVWZFOSA-N 1 2 353.219 4.228 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000537660369 1102783251 /nfs/dbraw/zinc/78/32/51/1102783251.db2.gz DETGAUVRMSMMNO-KRWDZBQOSA-N 1 2 357.461 4.058 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000537660369 1102783265 /nfs/dbraw/zinc/78/32/65/1102783265.db2.gz DETGAUVRMSMMNO-KRWDZBQOSA-N 1 2 357.461 4.058 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)ccc1SC ZINC000507704483 1103631930 /nfs/dbraw/zinc/63/19/30/1103631930.db2.gz FHFLUKORVRAIQP-UHFFFAOYSA-N 1 2 351.475 4.173 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)ccc1SC ZINC000507704483 1103631933 /nfs/dbraw/zinc/63/19/33/1103631933.db2.gz FHFLUKORVRAIQP-UHFFFAOYSA-N 1 2 351.475 4.173 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000440890108 1104021196 /nfs/dbraw/zinc/02/11/96/1104021196.db2.gz GKJAIFYDRSCTPN-SFHVURJKSA-N 1 2 365.477 4.369 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000440890108 1104021206 /nfs/dbraw/zinc/02/12/06/1104021206.db2.gz GKJAIFYDRSCTPN-SFHVURJKSA-N 1 2 365.477 4.369 20 30 FIEDLO CC1(C)CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328812459 1104561741 /nfs/dbraw/zinc/56/17/41/1104561741.db2.gz NBJFQUDVOCLZIF-SFHVURJKSA-N 1 2 350.466 4.316 20 30 FIEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000328917821 1104600829 /nfs/dbraw/zinc/60/08/29/1104600829.db2.gz RYVDTJXJPRAGIO-IAGOWNOFSA-N 1 2 373.522 4.120 20 30 FIEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000328917821 1104600834 /nfs/dbraw/zinc/60/08/34/1104600834.db2.gz RYVDTJXJPRAGIO-IAGOWNOFSA-N 1 2 373.522 4.120 20 30 FIEDLO N#CCCC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000487402629 1105228136 /nfs/dbraw/zinc/22/81/36/1105228136.db2.gz ILYPYSFNFOPKNM-OAQYLSRUSA-N 1 2 358.445 4.096 20 30 FIEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)sc1Br ZINC000453272386 1108348827 /nfs/dbraw/zinc/34/88/27/1108348827.db2.gz USLCORRGDOSGMV-QMMMGPOBSA-N 1 2 354.248 4.076 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000440670455 1108484969 /nfs/dbraw/zinc/48/49/69/1108484969.db2.gz AGMZWSKXEBDHGJ-UHFFFAOYSA-N 1 2 357.457 4.473 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000440670455 1108484976 /nfs/dbraw/zinc/48/49/76/1108484976.db2.gz AGMZWSKXEBDHGJ-UHFFFAOYSA-N 1 2 357.457 4.473 20 30 FIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000532045979 1108587023 /nfs/dbraw/zinc/58/70/23/1108587023.db2.gz SUBOOLKAJPOVSE-UHFFFAOYSA-N 1 2 374.444 4.066 20 30 FIEDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000524687046 1109126686 /nfs/dbraw/zinc/12/66/86/1109126686.db2.gz YLNWIHNRXMSEIK-UHFFFAOYSA-N 1 2 369.468 4.104 20 30 FIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447391401 1109531907 /nfs/dbraw/zinc/53/19/07/1109531907.db2.gz JQEJTUKICWLVNQ-QGZVFWFLSA-N 1 2 368.308 4.017 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083244 1109615513 /nfs/dbraw/zinc/61/55/13/1109615513.db2.gz RREVAELFFDBAKF-GOTSBHOMSA-N 1 2 356.473 4.203 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083244 1109615515 /nfs/dbraw/zinc/61/55/15/1109615515.db2.gz RREVAELFFDBAKF-GOTSBHOMSA-N 1 2 356.473 4.203 20 30 FIEDLO C=CCOc1ccccc1C[NH2+]Cc1nc(C)c(Br)s1 ZINC000449402170 1110059526 /nfs/dbraw/zinc/05/95/26/1110059526.db2.gz PQCOEQCJOAAMOO-UHFFFAOYSA-N 1 2 353.285 4.069 20 30 FIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000538668271 1111239908 /nfs/dbraw/zinc/23/99/08/1111239908.db2.gz TZHLSWWIBCPDLA-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000538668271 1111239910 /nfs/dbraw/zinc/23/99/10/1111239910.db2.gz TZHLSWWIBCPDLA-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(C#N)c1 ZINC000462029694 1111473975 /nfs/dbraw/zinc/47/39/75/1111473975.db2.gz DNQMRSKZVXADNQ-CYBMUJFWSA-N 1 2 350.809 4.140 20 30 FIEDLO Cn1ccc([C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1 ZINC000553002653 1111879161 /nfs/dbraw/zinc/87/91/61/1111879161.db2.gz BZRDJYHILDIBDG-IRLDBZIGSA-N 1 2 360.436 4.187 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479812847 1112149095 /nfs/dbraw/zinc/14/90/95/1112149095.db2.gz PPWVDOPCXJCMBY-OALUTQOASA-N 1 2 365.468 4.098 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479812847 1112149096 /nfs/dbraw/zinc/14/90/96/1112149096.db2.gz PPWVDOPCXJCMBY-OALUTQOASA-N 1 2 365.468 4.098 20 30 FIEDLO C=CCC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000488687868 1113973462 /nfs/dbraw/zinc/97/34/62/1113973462.db2.gz GQXKCMZSYFASLE-LJQANCHMSA-N 1 2 363.436 4.378 20 30 FIEDLO C=CCOc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000056998470 1114849395 /nfs/dbraw/zinc/84/93/95/1114849395.db2.gz ACPWYIQQRVQOBL-UHFFFAOYSA-N 1 2 367.474 4.079 20 30 FIEDLO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000593076877 1115300005 /nfs/dbraw/zinc/30/00/05/1115300005.db2.gz MENGIVSQFXSXSQ-SCLBCKFNSA-N 1 2 370.884 4.173 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(OC)cc1 ZINC000059423190 1115511195 /nfs/dbraw/zinc/51/11/95/1115511195.db2.gz YCBXCNKQSFGDKL-UHFFFAOYSA-N 1 2 360.457 4.475 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(OC)cc1 ZINC000059423190 1115511198 /nfs/dbraw/zinc/51/11/98/1115511198.db2.gz YCBXCNKQSFGDKL-UHFFFAOYSA-N 1 2 360.457 4.475 20 30 FIEDLO Cc1c(C[N@H+](C)CC(=O)Nc2sccc2C#N)oc2c1cccc2C ZINC000593088170 1115553254 /nfs/dbraw/zinc/55/32/54/1115553254.db2.gz VRHFXSMCPGNUCC-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2sccc2C#N)oc2c1cccc2C ZINC000593088170 1115553258 /nfs/dbraw/zinc/55/32/58/1115553258.db2.gz VRHFXSMCPGNUCC-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609083 1115553265 /nfs/dbraw/zinc/55/32/65/1115553265.db2.gz FVZMZGFYCLTWAX-CYBMUJFWSA-N 1 2 360.454 4.343 20 30 FIEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609083 1115553269 /nfs/dbraw/zinc/55/32/69/1115553269.db2.gz FVZMZGFYCLTWAX-CYBMUJFWSA-N 1 2 360.454 4.343 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC3(C#N)CCCCC3)n2)C1 ZINC000596893783 1115622923 /nfs/dbraw/zinc/62/29/23/1115622923.db2.gz HRQLTMWAGFFHFP-HNNXBMFYSA-N 1 2 360.527 4.178 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3(C#N)CCCCC3)n2)C1 ZINC000596893783 1115622924 /nfs/dbraw/zinc/62/29/24/1115622924.db2.gz HRQLTMWAGFFHFP-HNNXBMFYSA-N 1 2 360.527 4.178 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000597177813 1115646949 /nfs/dbraw/zinc/64/69/49/1115646949.db2.gz QWUBWKMHRYTRHS-LLVKDONJSA-N 1 2 359.214 4.176 20 30 FIEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000597177813 1115646950 /nfs/dbraw/zinc/64/69/50/1115646950.db2.gz QWUBWKMHRYTRHS-LLVKDONJSA-N 1 2 359.214 4.176 20 30 FIEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621015 1115740540 /nfs/dbraw/zinc/74/05/40/1115740540.db2.gz QWLCRDQPBPIMTF-PBHICJAKSA-N 1 2 360.889 4.044 20 30 FIEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621015 1115740542 /nfs/dbraw/zinc/74/05/42/1115740542.db2.gz QWLCRDQPBPIMTF-PBHICJAKSA-N 1 2 360.889 4.044 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599514901 1115821530 /nfs/dbraw/zinc/82/15/30/1115821530.db2.gz IXSMJDGFBJODCU-YOEHRIQHSA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599514901 1115821532 /nfs/dbraw/zinc/82/15/32/1115821532.db2.gz IXSMJDGFBJODCU-YOEHRIQHSA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000603934131 1115834068 /nfs/dbraw/zinc/83/40/68/1115834068.db2.gz BNHGKXNWDAOVFM-HNNXBMFYSA-N 1 2 367.880 4.053 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000603934131 1115834071 /nfs/dbraw/zinc/83/40/71/1115834071.db2.gz BNHGKXNWDAOVFM-HNNXBMFYSA-N 1 2 367.880 4.053 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686338 1115837910 /nfs/dbraw/zinc/83/79/10/1115837910.db2.gz QTRPIHJIGJQWBR-HNNXBMFYSA-N 1 2 367.880 4.100 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686338 1115837913 /nfs/dbraw/zinc/83/79/13/1115837913.db2.gz QTRPIHJIGJQWBR-HNNXBMFYSA-N 1 2 367.880 4.100 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1cccc(C#N)c1 ZINC000063300889 1116041366 /nfs/dbraw/zinc/04/13/66/1116041366.db2.gz KHGDRSUOLKQYFY-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1cccc(C#N)c1 ZINC000063300889 1116041369 /nfs/dbraw/zinc/04/13/69/1116041369.db2.gz KHGDRSUOLKQYFY-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000173483712 1116071174 /nfs/dbraw/zinc/07/11/74/1116071174.db2.gz VFQVHTNQNMQXMB-CABCVRRESA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000173483712 1116071176 /nfs/dbraw/zinc/07/11/76/1116071176.db2.gz VFQVHTNQNMQXMB-CABCVRRESA-N 1 2 352.573 4.041 20 30 FIEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000173863923 1116093331 /nfs/dbraw/zinc/09/33/31/1116093331.db2.gz XGFWUVUUPIVSSA-INIZCTEOSA-N 1 2 353.466 4.370 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608728352 1116126300 /nfs/dbraw/zinc/12/63/00/1116126300.db2.gz JHOXSMHXBSECGT-IBGZPJMESA-N 1 2 354.498 4.092 20 30 FIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000462275557 1116336262 /nfs/dbraw/zinc/33/62/62/1116336262.db2.gz VXYXHEJGVWILSJ-CYBMUJFWSA-N 1 2 374.897 4.184 20 30 FIEDLO C[C@@H](c1nnc(SCC2(C#N)CC2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000539757646 1116376038 /nfs/dbraw/zinc/37/60/38/1116376038.db2.gz CVQQDRFMTGBKJZ-INIZCTEOSA-N 1 2 367.522 4.210 20 30 FIEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCc1ccccc1 ZINC000539825189 1116385520 /nfs/dbraw/zinc/38/55/20/1116385520.db2.gz NMEWBJWQMYLWKP-QGZVFWFLSA-N 1 2 350.462 4.398 20 30 FIEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCc1ccccc1 ZINC000539825189 1116385522 /nfs/dbraw/zinc/38/55/22/1116385522.db2.gz NMEWBJWQMYLWKP-QGZVFWFLSA-N 1 2 350.462 4.398 20 30 FIEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccc(Cl)cc21 ZINC000539923909 1117758712 /nfs/dbraw/zinc/75/87/12/1117758712.db2.gz NHTCFTVCKZCQAS-UHFFFAOYSA-N 1 2 362.864 4.388 20 30 FIEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccc(Cl)cc21 ZINC000539923909 1117758716 /nfs/dbraw/zinc/75/87/16/1117758716.db2.gz NHTCFTVCKZCQAS-UHFFFAOYSA-N 1 2 362.864 4.388 20 30 FIEDLO C=CCc1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc(OC)c1O ZINC000492191936 1119042599 /nfs/dbraw/zinc/04/25/99/1119042599.db2.gz CRBOKMAPZLKPFO-UHFFFAOYSA-N 1 2 370.371 4.161 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790170 1119189314 /nfs/dbraw/zinc/18/93/14/1119189314.db2.gz OYDVUMICRNTTAP-OALUTQOASA-N 1 2 365.433 4.265 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790170 1119189316 /nfs/dbraw/zinc/18/93/16/1119189316.db2.gz OYDVUMICRNTTAP-OALUTQOASA-N 1 2 365.433 4.265 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1sccc1Br ZINC000184289027 1119602067 /nfs/dbraw/zinc/60/20/67/1119602067.db2.gz RVNSYTNOCYSHRL-UHFFFAOYSA-N 1 2 352.257 4.200 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[NH+]2CCCCCCC2)c1=S ZINC000915794932 1121061283 /nfs/dbraw/zinc/06/12/83/1121061283.db2.gz ZYDAEGFVCQHGTL-UHFFFAOYSA-N 1 2 372.538 4.499 20 30 FIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332269 1121334699 /nfs/dbraw/zinc/33/46/99/1121334699.db2.gz KIHCXYXATOIXFN-QGZVFWFLSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332269 1121334708 /nfs/dbraw/zinc/33/47/08/1121334708.db2.gz KIHCXYXATOIXFN-QGZVFWFLSA-N 1 2 354.523 4.265 20 30 FIEDLO CCCN[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000915965278 1121365932 /nfs/dbraw/zinc/36/59/32/1121365932.db2.gz DFQUMQDQAQCJKG-WQULCADNSA-N 1 2 359.901 4.089 20 30 FIEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000127392155 1122089286 /nfs/dbraw/zinc/08/92/86/1122089286.db2.gz KNLWGCJQHHZTHE-PDXHDDNESA-N 1 2 370.443 4.186 20 30 FIEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000127392155 1122089292 /nfs/dbraw/zinc/08/92/92/1122089292.db2.gz KNLWGCJQHHZTHE-PDXHDDNESA-N 1 2 370.443 4.186 20 30 FIEDLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC000917119820 1122159757 /nfs/dbraw/zinc/15/97/57/1122159757.db2.gz XVIJAMCHLBVPTP-IBGZPJMESA-N 1 2 356.828 4.040 20 30 FIEDLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC000917119820 1122159760 /nfs/dbraw/zinc/15/97/60/1122159760.db2.gz XVIJAMCHLBVPTP-IBGZPJMESA-N 1 2 356.828 4.040 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000129113587 1122537513 /nfs/dbraw/zinc/53/75/13/1122537513.db2.gz AQYOXYGAZXASMB-ROUUACIJSA-N 1 2 354.519 4.313 20 30 FIEDLO N#CCC[N@@H+](Cc1cccc(Br)c1OC(F)F)CC1CC1 ZINC000154859442 1122846009 /nfs/dbraw/zinc/84/60/09/1122846009.db2.gz FLFGYHHQJPQLNZ-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO N#CCC[N@H+](Cc1cccc(Br)c1OC(F)F)CC1CC1 ZINC000154859442 1122846016 /nfs/dbraw/zinc/84/60/16/1122846016.db2.gz FLFGYHHQJPQLNZ-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555689 1123072017 /nfs/dbraw/zinc/07/20/17/1123072017.db2.gz QTYMELNGLKSPBK-UHFFFAOYSA-N 1 2 372.259 4.044 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1 ZINC000556913603 1123221296 /nfs/dbraw/zinc/22/12/96/1123221296.db2.gz UPXSLPKWXYXVSF-NRFANRHFSA-N 1 2 351.425 4.003 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N\CC1([NH+]2CCOCC2)CCCCC1 ZINC000920944204 1123540276 /nfs/dbraw/zinc/54/02/76/1123540276.db2.gz JIGTZXQZYPFQHH-MTJSOVHGSA-N 1 2 371.308 4.153 20 30 FIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)c(C#N)c3)n2)cc1 ZINC000542621178 1123641351 /nfs/dbraw/zinc/64/13/51/1123641351.db2.gz QFVZCQSZHLBJER-CYBMUJFWSA-N 1 2 350.397 4.161 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609555291 1123755483 /nfs/dbraw/zinc/75/54/83/1123755483.db2.gz CYTDBDXNIWCGOI-JKSUJKDBSA-N 1 2 369.494 4.004 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000609623233 1123773000 /nfs/dbraw/zinc/77/30/00/1123773000.db2.gz WUQXSDLWVDWPDA-UHFFFAOYSA-N 1 2 354.369 4.251 20 30 FIEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788076 1124076873 /nfs/dbraw/zinc/07/68/73/1124076873.db2.gz AYAVQMXSRRNKLW-ZDUSSCGKSA-N 1 2 359.813 4.171 20 30 FIEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788076 1124076879 /nfs/dbraw/zinc/07/68/79/1124076879.db2.gz AYAVQMXSRRNKLW-ZDUSSCGKSA-N 1 2 359.813 4.171 20 30 FIEDLO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301970292 1124274509 /nfs/dbraw/zinc/27/45/09/1124274509.db2.gz DHWSDXVDYPKAAU-QWHCGFSZSA-N 1 2 371.268 4.318 20 30 FIEDLO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301970292 1124274514 /nfs/dbraw/zinc/27/45/14/1124274514.db2.gz DHWSDXVDYPKAAU-QWHCGFSZSA-N 1 2 371.268 4.318 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075637942 1124911554 /nfs/dbraw/zinc/91/15/54/1124911554.db2.gz HZGSRYXGZKNNFK-INIZCTEOSA-N 1 2 350.447 4.179 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075637942 1124911557 /nfs/dbraw/zinc/91/15/57/1124911557.db2.gz HZGSRYXGZKNNFK-INIZCTEOSA-N 1 2 350.447 4.179 20 30 FIEDLO CC[N@H+](Cc1nc(CCc2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645757 1124911623 /nfs/dbraw/zinc/91/16/23/1124911623.db2.gz AFTPZDMUXNLXFQ-QGZVFWFLSA-N 1 2 360.461 4.310 20 30 FIEDLO CC[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645757 1124911626 /nfs/dbraw/zinc/91/16/26/1124911626.db2.gz AFTPZDMUXNLXFQ-QGZVFWFLSA-N 1 2 360.461 4.310 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000253352576 1125229507 /nfs/dbraw/zinc/22/95/07/1125229507.db2.gz ORSIGHVLGJNNAL-DLBZAZTESA-N 1 2 350.865 4.087 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000253352576 1125229515 /nfs/dbraw/zinc/22/95/15/1125229515.db2.gz ORSIGHVLGJNNAL-DLBZAZTESA-N 1 2 350.865 4.087 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000092975163 1125255756 /nfs/dbraw/zinc/25/57/56/1125255756.db2.gz RQLCRHBIXFPWJR-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000092975163 1125255761 /nfs/dbraw/zinc/25/57/61/1125255761.db2.gz RQLCRHBIXFPWJR-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000061576749 567871766 /nfs/dbraw/zinc/87/17/66/567871766.db2.gz WTRKBFCPJFVBGL-LBPRGKRZSA-N 1 2 364.474 4.041 20 30 FIEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000601942809 567882047 /nfs/dbraw/zinc/88/20/47/567882047.db2.gz VGDGUZVZQQYBDM-CQSZACIVSA-N 1 2 374.366 4.426 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1cccc(Cl)c1 ZINC000602696281 568016354 /nfs/dbraw/zinc/01/63/54/568016354.db2.gz XJLXHZGYWUZDNT-DZGCQCFKSA-N 1 2 374.897 4.263 20 30 FIEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069069712 568093596 /nfs/dbraw/zinc/09/35/96/568093596.db2.gz SRQHEAUIHLTDPV-ZDUSSCGKSA-N 1 2 357.479 4.113 20 30 FIEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069069712 568093597 /nfs/dbraw/zinc/09/35/97/568093597.db2.gz SRQHEAUIHLTDPV-ZDUSSCGKSA-N 1 2 357.479 4.113 20 30 FIEDLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000481716638 568094165 /nfs/dbraw/zinc/09/41/65/568094165.db2.gz HAYJNHNQVBBSJG-UHFFFAOYSA-N 1 2 361.420 4.400 20 30 FIEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000481716638 568094166 /nfs/dbraw/zinc/09/41/66/568094166.db2.gz HAYJNHNQVBBSJG-UHFFFAOYSA-N 1 2 361.420 4.400 20 30 FIEDLO Cc1ccc(C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)o1 ZINC000603851578 568165674 /nfs/dbraw/zinc/16/56/74/568165674.db2.gz KEDHVICDWDMVTD-UHFFFAOYSA-N 1 2 371.868 4.153 20 30 FIEDLO Cc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)o1 ZINC000603851578 568165676 /nfs/dbraw/zinc/16/56/76/568165676.db2.gz KEDHVICDWDMVTD-UHFFFAOYSA-N 1 2 371.868 4.153 20 30 FIEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068491 568270404 /nfs/dbraw/zinc/27/04/04/568270404.db2.gz OWCRQHAHHGPRDU-XOBRGWDASA-N 1 2 369.415 4.025 20 30 FIEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068491 568270405 /nfs/dbraw/zinc/27/04/05/568270405.db2.gz OWCRQHAHHGPRDU-XOBRGWDASA-N 1 2 369.415 4.025 20 30 FIEDLO N#Cc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ccc1F ZINC000569273307 568324785 /nfs/dbraw/zinc/32/47/85/568324785.db2.gz LTNVIVLAUBUOKT-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000365266275 568385135 /nfs/dbraw/zinc/38/51/35/568385135.db2.gz KLKJWXMVKIGAFB-LLVKDONJSA-N 1 2 356.788 4.252 20 30 FIEDLO C=CCc1cccc(C(C)C)c1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365274593 568397446 /nfs/dbraw/zinc/39/74/46/568397446.db2.gz BBLVXQIFCFASCQ-UHFFFAOYSA-N 1 2 366.509 4.436 20 30 FIEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1 ZINC000570371734 568480977 /nfs/dbraw/zinc/48/09/77/568480977.db2.gz FLLJFHAKHSVCSA-SFHVURJKSA-N 1 2 358.445 4.330 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000619792464 1125706879 /nfs/dbraw/zinc/70/68/79/1125706879.db2.gz ZFLVITWHOAFEJG-HNNXBMFYSA-N 1 2 351.841 4.106 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000579781927 1079670870 /nfs/dbraw/zinc/67/08/70/1079670870.db2.gz WITGBIOGCVQHOP-UHFFFAOYSA-N 1 2 355.356 4.075 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000579781927 1079670874 /nfs/dbraw/zinc/67/08/74/1079670874.db2.gz WITGBIOGCVQHOP-UHFFFAOYSA-N 1 2 355.356 4.075 20 30 FIEDLO N#Cc1cccc(C2CC[NH+](Cc3cnc(Br)s3)CC2)c1 ZINC001139913496 1079803953 /nfs/dbraw/zinc/80/39/53/1079803953.db2.gz COFKSNAKCLXHDI-UHFFFAOYSA-N 1 2 362.296 4.157 20 30 FIEDLO O[C@]1(C(F)(F)F)CCCC[N@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204462495 1080833120 /nfs/dbraw/zinc/83/31/20/1080833120.db2.gz XDEJNXOWSVAHAH-CYBMUJFWSA-N 1 2 359.285 4.124 20 30 FIEDLO O[C@]1(C(F)(F)F)CCCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204462495 1080833129 /nfs/dbraw/zinc/83/31/29/1080833129.db2.gz XDEJNXOWSVAHAH-CYBMUJFWSA-N 1 2 359.285 4.124 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000535962273 1080942473 /nfs/dbraw/zinc/94/24/73/1080942473.db2.gz CCSYYIOTUCFZMR-MGPUTAFESA-N 1 2 366.486 4.023 20 30 FIEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000535962273 1080942475 /nfs/dbraw/zinc/94/24/75/1080942475.db2.gz CCSYYIOTUCFZMR-MGPUTAFESA-N 1 2 366.486 4.023 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983360 1083353018 /nfs/dbraw/zinc/35/30/18/1083353018.db2.gz ALKZPHQGCKUTTG-CYBMUJFWSA-N 1 2 367.287 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983360 1083353020 /nfs/dbraw/zinc/35/30/20/1083353020.db2.gz ALKZPHQGCKUTTG-CYBMUJFWSA-N 1 2 367.287 4.004 20 30 FIEDLO C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1n1cc[nH+]c1 ZINC000247576792 1083699952 /nfs/dbraw/zinc/69/99/52/1083699952.db2.gz LRIKLWLPRNYKKL-BLLLJJGKSA-N 1 2 369.831 4.183 20 30 FIEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 ZINC000612346439 1083732223 /nfs/dbraw/zinc/73/22/23/1083732223.db2.gz TVGQTGYBQMSUED-UHFFFAOYSA-N 1 2 372.428 4.258 20 30 FIEDLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3s2)c(-c2ccc(C#N)cc2)n1 ZINC000179889878 1083828881 /nfs/dbraw/zinc/82/88/81/1083828881.db2.gz LNEQYNXIVXGLAH-UHFFFAOYSA-N 1 2 373.485 4.200 20 30 FIEDLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3s2)c(-c2ccc(C#N)cc2)n1 ZINC000179889878 1083828899 /nfs/dbraw/zinc/82/88/99/1083828899.db2.gz LNEQYNXIVXGLAH-UHFFFAOYSA-N 1 2 373.485 4.200 20 30 FIEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930806 1085039799 /nfs/dbraw/zinc/03/97/99/1085039799.db2.gz QYEXTBUWHMTMDE-ZFWWWQNUSA-N 1 2 352.265 4.280 20 30 FIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930806 1085039806 /nfs/dbraw/zinc/03/98/06/1085039806.db2.gz QYEXTBUWHMTMDE-ZFWWWQNUSA-N 1 2 352.265 4.280 20 30 FIEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nc(C)cs1 ZINC000184443402 1085163306 /nfs/dbraw/zinc/16/33/06/1085163306.db2.gz VLJLRWCNPZSMBV-AWEZNQCLSA-N 1 2 350.285 4.327 20 30 FIEDLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000375726880 1085331268 /nfs/dbraw/zinc/33/12/68/1085331268.db2.gz YZGQNQBOAVYIRK-NHCUHLMSSA-N 1 2 360.461 4.131 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000595615895 1085687137 /nfs/dbraw/zinc/68/71/37/1085687137.db2.gz ULUDAPNMTIYTMN-NSHDSACASA-N 1 2 351.237 4.169 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000595615895 1085687144 /nfs/dbraw/zinc/68/71/44/1085687144.db2.gz ULUDAPNMTIYTMN-NSHDSACASA-N 1 2 351.237 4.169 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000662078791 1086100075 /nfs/dbraw/zinc/10/00/75/1086100075.db2.gz GRSXQSNRXFUHHV-SOUVJXGZSA-N 1 2 363.299 4.268 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000662078791 1086100082 /nfs/dbraw/zinc/10/00/82/1086100082.db2.gz GRSXQSNRXFUHHV-SOUVJXGZSA-N 1 2 363.299 4.268 20 30 FIEDLO CC(C)Oc1cccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000535967106 1086432373 /nfs/dbraw/zinc/43/23/73/1086432373.db2.gz ISXAZGOVDIPKMZ-UHFFFAOYSA-N 1 2 362.433 4.027 20 30 FIEDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000535967106 1086432378 /nfs/dbraw/zinc/43/23/78/1086432378.db2.gz ISXAZGOVDIPKMZ-UHFFFAOYSA-N 1 2 362.433 4.027 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562314 1086553701 /nfs/dbraw/zinc/55/37/01/1086553701.db2.gz LQRZUCCDKJUFBI-KRWDZBQOSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562314 1086553708 /nfs/dbraw/zinc/55/37/08/1086553708.db2.gz LQRZUCCDKJUFBI-KRWDZBQOSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000512051737 1086711169 /nfs/dbraw/zinc/71/11/69/1086711169.db2.gz JKQLYZXKEVHHND-UHFFFAOYSA-N 1 2 372.371 4.077 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000512051737 1086711174 /nfs/dbraw/zinc/71/11/74/1086711174.db2.gz JKQLYZXKEVHHND-UHFFFAOYSA-N 1 2 372.371 4.077 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000512056407 1086718160 /nfs/dbraw/zinc/71/81/60/1086718160.db2.gz GHXRGEMBNVXADA-UHFFFAOYSA-N 1 2 351.406 4.053 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000512056407 1086718164 /nfs/dbraw/zinc/71/81/64/1086718164.db2.gz GHXRGEMBNVXADA-UHFFFAOYSA-N 1 2 351.406 4.053 20 30 FIEDLO C[C@H]1C[C@@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000548798931 1086794857 /nfs/dbraw/zinc/79/48/57/1086794857.db2.gz TXTBLYIYDWHGNF-RBZFPXEDSA-N 1 2 364.836 4.287 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246522455 1086928430 /nfs/dbraw/zinc/92/84/30/1086928430.db2.gz KTHIYYDKNXCCCL-QZTJIDSGSA-N 1 2 350.865 4.109 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246522455 1086928433 /nfs/dbraw/zinc/92/84/33/1086928433.db2.gz KTHIYYDKNXCCCL-QZTJIDSGSA-N 1 2 350.865 4.109 20 30 FIEDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611791400 1086992524 /nfs/dbraw/zinc/99/25/24/1086992524.db2.gz TXCDZJUKOMNTNZ-QGZVFWFLSA-N 1 2 358.445 4.079 20 30 FIEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000584347581 1087276744 /nfs/dbraw/zinc/27/67/44/1087276744.db2.gz ZOQKYZVFSWOTMT-MRXNPFEDSA-N 1 2 350.466 4.459 20 30 FIEDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000584463223 1090711016 /nfs/dbraw/zinc/71/10/16/1090711016.db2.gz GGDSWTJUQXISQT-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000584463223 1090711022 /nfs/dbraw/zinc/71/10/22/1090711022.db2.gz GGDSWTJUQXISQT-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000123404736 1091164548 /nfs/dbraw/zinc/16/45/48/1091164548.db2.gz AAWFDFZOJQDCPH-LBPRGKRZSA-N 1 2 374.897 4.152 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000123404736 1091164551 /nfs/dbraw/zinc/16/45/51/1091164551.db2.gz AAWFDFZOJQDCPH-LBPRGKRZSA-N 1 2 374.897 4.152 20 30 FIEDLO C=C(C)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(CO)o1 ZINC000512198837 1091896921 /nfs/dbraw/zinc/89/69/21/1091896921.db2.gz WEEMRHGPZNDSFS-UHFFFAOYSA-N 1 2 363.379 4.221 20 30 FIEDLO C=C(C)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(CO)o1 ZINC000512198837 1091896925 /nfs/dbraw/zinc/89/69/25/1091896925.db2.gz WEEMRHGPZNDSFS-UHFFFAOYSA-N 1 2 363.379 4.221 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000432630630 1092011875 /nfs/dbraw/zinc/01/18/75/1092011875.db2.gz DIPAKHGFWKDIAQ-AWEZNQCLSA-N 1 2 350.532 4.099 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000432630630 1092011880 /nfs/dbraw/zinc/01/18/80/1092011880.db2.gz DIPAKHGFWKDIAQ-AWEZNQCLSA-N 1 2 350.532 4.099 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2F)c(SC)cc1OC ZINC000512443580 1092360145 /nfs/dbraw/zinc/36/01/45/1092360145.db2.gz DROBVRJFFSXMJF-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2F)c(SC)cc1OC ZINC000512443580 1092360153 /nfs/dbraw/zinc/36/01/53/1092360153.db2.gz DROBVRJFFSXMJF-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273615 1092871080 /nfs/dbraw/zinc/87/10/80/1092871080.db2.gz PYXMWWVTOSTTLY-UHFFFAOYSA-N 1 2 355.507 4.209 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273615 1092871090 /nfs/dbraw/zinc/87/10/90/1092871090.db2.gz PYXMWWVTOSTTLY-UHFFFAOYSA-N 1 2 355.507 4.209 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2Br)ccc1C#N ZINC000443064994 1092925888 /nfs/dbraw/zinc/92/58/88/1092925888.db2.gz DPKZVWGLBGUZAS-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2Br)ccc1C#N ZINC000443064994 1092925891 /nfs/dbraw/zinc/92/58/91/1092925891.db2.gz DPKZVWGLBGUZAS-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO N#CCCC[C@H]([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000433028551 1093130646 /nfs/dbraw/zinc/13/06/46/1093130646.db2.gz ZULWLMMRFFBWMQ-IBGZPJMESA-N 1 2 364.424 4.324 20 30 FIEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000247165489 1093144037 /nfs/dbraw/zinc/14/40/37/1093144037.db2.gz OLDQGKIVRDKYIG-LSDHHAIUSA-N 1 2 357.479 4.305 20 30 FIEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000247165489 1093144038 /nfs/dbraw/zinc/14/40/38/1093144038.db2.gz OLDQGKIVRDKYIG-LSDHHAIUSA-N 1 2 357.479 4.305 20 30 FIEDLO Cc1cccc([C@@H](CNc2cccc(Cl)c2C#N)[NH+]2CCOCC2)c1 ZINC000513183056 1094001845 /nfs/dbraw/zinc/00/18/45/1094001845.db2.gz GPEOAQXASQLYAU-HXUWFJFHSA-N 1 2 355.869 4.006 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037880 1094720141 /nfs/dbraw/zinc/72/01/41/1094720141.db2.gz NKWMMFWRSWBTPZ-GXTWGEPZSA-N 1 2 362.861 4.114 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037880 1094720162 /nfs/dbraw/zinc/72/01/62/1094720162.db2.gz NKWMMFWRSWBTPZ-GXTWGEPZSA-N 1 2 362.861 4.114 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4nsnc4c3)n2)C1 ZINC000329125587 1094749870 /nfs/dbraw/zinc/74/98/70/1094749870.db2.gz YDGFNGIPUVNOCO-LLVKDONJSA-N 1 2 373.507 4.016 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4nsnc4c3)n2)C1 ZINC000329125587 1094749879 /nfs/dbraw/zinc/74/98/79/1094749879.db2.gz YDGFNGIPUVNOCO-LLVKDONJSA-N 1 2 373.507 4.016 20 30 FIEDLO CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329251913 1094798805 /nfs/dbraw/zinc/79/88/05/1094798805.db2.gz VDLLOUJOIDICKZ-CHWSQXEVSA-N 1 2 358.511 4.341 20 30 FIEDLO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329263197 1094803072 /nfs/dbraw/zinc/80/30/72/1094803072.db2.gz DJSRTOOZZUQDHX-RTBURBONSA-N 1 2 352.482 4.435 20 30 FIEDLO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329280006 1094812293 /nfs/dbraw/zinc/81/22/93/1094812293.db2.gz LXCOJQHKZQKFRZ-IBGZPJMESA-N 1 2 368.456 4.278 20 30 FIEDLO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329280006 1094812314 /nfs/dbraw/zinc/81/23/14/1094812314.db2.gz LXCOJQHKZQKFRZ-IBGZPJMESA-N 1 2 368.456 4.278 20 30 FIEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329285535 1094818109 /nfs/dbraw/zinc/81/81/09/1094818109.db2.gz OWFUXAHEAOUYMU-AVRDEDQJSA-N 1 2 366.509 4.118 20 30 FIEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)c2c(C)cccc2C)C1 ZINC000329494824 1094937414 /nfs/dbraw/zinc/93/74/14/1094937414.db2.gz FMUJKCLILYTIRH-QZTJIDSGSA-N 1 2 354.498 4.374 20 30 FIEDLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329569625 1094976207 /nfs/dbraw/zinc/97/62/07/1094976207.db2.gz LYGNWUGAXBEMSS-OAHLLOKOSA-N 1 2 352.482 4.143 20 30 FIEDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329569625 1094976212 /nfs/dbraw/zinc/97/62/12/1094976212.db2.gz LYGNWUGAXBEMSS-OAHLLOKOSA-N 1 2 352.482 4.143 20 30 FIEDLO CC[N@H+](CC(=O)N[C@@H](CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000502034519 1095066448 /nfs/dbraw/zinc/06/64/48/1095066448.db2.gz PWPHAAJTQHWXTE-FQEVSTJZSA-N 1 2 369.896 4.323 20 30 FIEDLO CC[N@@H+](CC(=O)N[C@@H](CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000502034519 1095066461 /nfs/dbraw/zinc/06/64/61/1095066461.db2.gz PWPHAAJTQHWXTE-FQEVSTJZSA-N 1 2 369.896 4.323 20 30 FIEDLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000329784920 1095264068 /nfs/dbraw/zinc/26/40/68/1095264068.db2.gz WMWWKFIRBAUMLJ-CVEARBPZSA-N 1 2 372.538 4.072 20 30 FIEDLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330143331 1095393699 /nfs/dbraw/zinc/39/36/99/1095393699.db2.gz YTZGPPSQECPGCC-RJOZEALSSA-N 1 2 374.525 4.143 20 30 FIEDLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330143331 1095393717 /nfs/dbraw/zinc/39/37/17/1095393717.db2.gz YTZGPPSQECPGCC-RJOZEALSSA-N 1 2 374.525 4.143 20 30 FIEDLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330220617 1095422356 /nfs/dbraw/zinc/42/23/56/1095422356.db2.gz KYVFHQYVPYBVGQ-GFCCVEGCSA-N 1 2 366.849 4.212 20 30 FIEDLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330220617 1095422363 /nfs/dbraw/zinc/42/23/63/1095422363.db2.gz KYVFHQYVPYBVGQ-GFCCVEGCSA-N 1 2 366.849 4.212 20 30 FIEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000330303487 1095476937 /nfs/dbraw/zinc/47/69/37/1095476937.db2.gz PGWFEIFLLRWZAX-GOSISDBHSA-N 1 2 358.486 4.418 20 30 FIEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000330303487 1095476944 /nfs/dbraw/zinc/47/69/44/1095476944.db2.gz PGWFEIFLLRWZAX-GOSISDBHSA-N 1 2 358.486 4.418 20 30 FIEDLO O=C(NCCC1=CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330335119 1095531189 /nfs/dbraw/zinc/53/11/89/1095531189.db2.gz RFWUXSZASBCOOI-UHFFFAOYSA-N 1 2 356.514 4.203 20 30 FIEDLO COc1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)ccc1C#N ZINC000366901683 1095550766 /nfs/dbraw/zinc/55/07/66/1095550766.db2.gz VJHNJLUERHDBPL-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO Cc1cc(C)c(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c[nH+]1 ZINC000454743266 1098732181 /nfs/dbraw/zinc/73/21/81/1098732181.db2.gz DMYDUAKUVCVRGK-CYBMUJFWSA-N 1 2 354.479 4.272 20 30 FIEDLO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000425539723 1099005691 /nfs/dbraw/zinc/00/56/91/1099005691.db2.gz UJIRFXOUNKPCCP-LBPRGKRZSA-N 1 2 352.463 4.078 20 30 FIEDLO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000425539723 1099005704 /nfs/dbraw/zinc/00/57/04/1099005704.db2.gz UJIRFXOUNKPCCP-LBPRGKRZSA-N 1 2 352.463 4.078 20 30 FIEDLO C=C(C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000505960977 1099588200 /nfs/dbraw/zinc/58/82/00/1099588200.db2.gz ZRQGTPBJQRKEML-FQEVSTJZSA-N 1 2 367.399 4.257 20 30 FIEDLO COC(=O)c1cccc(C[N@H+](C)Cc2csc3ccccc23)c1C#N ZINC000533775066 1099930562 /nfs/dbraw/zinc/93/05/62/1099930562.db2.gz HMAXOXIYFUZPDB-UHFFFAOYSA-N 1 2 350.443 4.192 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2csc3ccccc23)c1C#N ZINC000533775066 1099930567 /nfs/dbraw/zinc/93/05/67/1099930567.db2.gz HMAXOXIYFUZPDB-UHFFFAOYSA-N 1 2 350.443 4.192 20 30 FIEDLO N#Cc1cc(F)ccc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533859614 1100055598 /nfs/dbraw/zinc/05/55/98/1100055598.db2.gz VRTGPDAQRNVRLY-UHFFFAOYSA-N 1 2 373.391 4.257 20 30 FIEDLO Cc1cc(SC2CCCCC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000517231454 1100201908 /nfs/dbraw/zinc/20/19/08/1100201908.db2.gz IIIJVCFSATYSNT-QGZVFWFLSA-N 1 2 361.555 4.038 20 30 FIEDLO Cc1cc(SC2CCCCC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000517231454 1100201918 /nfs/dbraw/zinc/20/19/18/1100201918.db2.gz IIIJVCFSATYSNT-QGZVFWFLSA-N 1 2 361.555 4.038 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459642740 1100381010 /nfs/dbraw/zinc/38/10/10/1100381010.db2.gz ZOUAVBQEEGSKRE-CYBMUJFWSA-N 1 2 373.547 4.199 20 30 FIEDLO N#CC1(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CCC1 ZINC000518084796 1100911743 /nfs/dbraw/zinc/91/17/43/1100911743.db2.gz TXOUXOBPCUHHDI-UHFFFAOYSA-N 1 2 367.522 4.039 20 30 FIEDLO Cc1cc(Br)cn2c(/C=C3\Cc4ccccc4C3=O)c[nH+]c12 ZINC000783698183 1101402700 /nfs/dbraw/zinc/40/27/00/1101402700.db2.gz WNXUKBFAFFSNOT-MDWZMJQESA-N 1 2 353.219 4.228 20 30 FIEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610246965 1101407098 /nfs/dbraw/zinc/40/70/98/1101407098.db2.gz YOEYYGZYTIISRW-PGRDOPGGSA-N 1 2 373.456 4.294 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426767 1101559743 /nfs/dbraw/zinc/55/97/43/1101559743.db2.gz JAOKXYKUOCGVKD-SGTLLEGYSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426767 1101559751 /nfs/dbraw/zinc/55/97/51/1101559751.db2.gz JAOKXYKUOCGVKD-SGTLLEGYSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c(C#N)c1C ZINC000426452498 1101650163 /nfs/dbraw/zinc/65/01/63/1101650163.db2.gz ZYTWNTGUXOSCIM-XIKOKIGWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c(C#N)c1C ZINC000426452498 1101650170 /nfs/dbraw/zinc/65/01/70/1101650170.db2.gz ZYTWNTGUXOSCIM-XIKOKIGWSA-N 1 2 371.481 4.397 20 30 FIEDLO N#Cc1cccc(-c2csc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000160741022 1102031624 /nfs/dbraw/zinc/03/16/24/1102031624.db2.gz KVEJMDARNXORJW-UHFFFAOYSA-N 1 2 371.425 4.120 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Cl)c1 ZINC000016632128 1102307480 /nfs/dbraw/zinc/30/74/80/1102307480.db2.gz STPWTIGVHPXSAJ-UHFFFAOYSA-N 1 2 359.882 4.026 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Cl)c1 ZINC000016632128 1102307494 /nfs/dbraw/zinc/30/74/94/1102307494.db2.gz STPWTIGVHPXSAJ-UHFFFAOYSA-N 1 2 359.882 4.026 20 30 FIEDLO COC(=O)C[N@H+](CCCC(C)(C)C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000187752017 1102310369 /nfs/dbraw/zinc/31/03/69/1102310369.db2.gz KLDAIZYRQBQYNJ-UHFFFAOYSA-N 1 2 356.388 4.010 20 30 FIEDLO COC(=O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000187752017 1102310383 /nfs/dbraw/zinc/31/03/83/1102310383.db2.gz KLDAIZYRQBQYNJ-UHFFFAOYSA-N 1 2 356.388 4.010 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583350 1102473153 /nfs/dbraw/zinc/47/31/53/1102473153.db2.gz UUKVHVNFGLYHDL-QZTJIDSGSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583350 1102473158 /nfs/dbraw/zinc/47/31/58/1102473158.db2.gz UUKVHVNFGLYHDL-QZTJIDSGSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583351 1102473554 /nfs/dbraw/zinc/47/35/54/1102473554.db2.gz UUKVHVNFGLYHDL-ROUUACIJSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583351 1102473564 /nfs/dbraw/zinc/47/35/64/1102473564.db2.gz UUKVHVNFGLYHDL-ROUUACIJSA-N 1 2 364.892 4.477 20 30 FIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000476696954 1102702804 /nfs/dbraw/zinc/70/28/04/1102702804.db2.gz LTSHYRWOBRADCZ-MRXNPFEDSA-N 1 2 367.518 4.068 20 30 FIEDLO N#Cc1c(F)ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1Cl ZINC000550949940 1102721194 /nfs/dbraw/zinc/72/11/94/1102721194.db2.gz MYMNNOYXYKOCAG-UHFFFAOYSA-N 1 2 359.710 4.299 20 30 FIEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)c(F)c1 ZINC000476751983 1102754240 /nfs/dbraw/zinc/75/42/40/1102754240.db2.gz BAJGNDHNQVPGMB-IFXJQAMLSA-N 1 2 373.447 4.350 20 30 FIEDLO C=C(C)[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000476751983 1102754248 /nfs/dbraw/zinc/75/42/48/1102754248.db2.gz BAJGNDHNQVPGMB-IFXJQAMLSA-N 1 2 373.447 4.350 20 30 FIEDLO Cc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc[nH+]1 ZINC000112298271 1102896561 /nfs/dbraw/zinc/89/65/61/1102896561.db2.gz IECNZFUKBJWJGT-UHFFFAOYSA-N 1 2 359.433 4.036 20 30 FIEDLO N#C[C@@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(Cl)ccc2s1 ZINC000551772740 1103613531 /nfs/dbraw/zinc/61/35/31/1103613531.db2.gz PVKYTYHOWOZLCH-ZDUSSCGKSA-N 1 2 352.806 4.087 20 30 FIEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(Cl)ccc2s1 ZINC000551772740 1103613533 /nfs/dbraw/zinc/61/35/33/1103613533.db2.gz PVKYTYHOWOZLCH-ZDUSSCGKSA-N 1 2 352.806 4.087 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)c1C#N ZINC000538205135 1104017090 /nfs/dbraw/zinc/01/70/90/1104017090.db2.gz QBNLVTQKIDXIQK-UHFFFAOYSA-N 1 2 370.452 4.398 20 30 FIEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188257140 1104105682 /nfs/dbraw/zinc/10/56/82/1104105682.db2.gz QCJMGTRVWPXJEZ-NRFANRHFSA-N 1 2 353.466 4.054 20 30 FIEDLO CC(C)C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000441523469 1104967987 /nfs/dbraw/zinc/96/79/87/1104967987.db2.gz KHWYCUAVDFEYPO-UHFFFAOYSA-N 1 2 374.488 4.385 20 30 FIEDLO CC(C)C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000441523469 1104967988 /nfs/dbraw/zinc/96/79/88/1104967988.db2.gz KHWYCUAVDFEYPO-UHFFFAOYSA-N 1 2 374.488 4.385 20 30 FIEDLO CC(C)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1F ZINC000441539814 1104975991 /nfs/dbraw/zinc/97/59/91/1104975991.db2.gz AERXPGSINQLBII-UHFFFAOYSA-N 1 2 364.424 4.406 20 30 FIEDLO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1F ZINC000441539814 1104975995 /nfs/dbraw/zinc/97/59/95/1104975995.db2.gz AERXPGSINQLBII-UHFFFAOYSA-N 1 2 364.424 4.406 20 30 FIEDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000508131878 1105328667 /nfs/dbraw/zinc/32/86/67/1105328667.db2.gz LLMCGBOXDUFLPL-UHFFFAOYSA-N 1 2 369.490 4.048 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665626446 1106873096 /nfs/dbraw/zinc/87/30/96/1106873096.db2.gz YDXRNGGOJKFLRA-LFGUQSLTSA-N 1 2 369.509 4.011 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)Cc1ccc(OC)cc1 ZINC000054272385 1107206839 /nfs/dbraw/zinc/20/68/39/1107206839.db2.gz KLBIHNURXWMQLL-UHFFFAOYSA-N 1 2 352.478 4.193 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)Cc1ccc(OC)cc1 ZINC000054272385 1107206853 /nfs/dbraw/zinc/20/68/53/1107206853.db2.gz KLBIHNURXWMQLL-UHFFFAOYSA-N 1 2 352.478 4.193 20 30 FIEDLO C=CCC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000666004237 1107937236 /nfs/dbraw/zinc/93/72/36/1107937236.db2.gz XIERQQOATYCVPO-KRWDZBQOSA-N 1 2 357.498 4.090 20 30 FIEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000523224166 1107994915 /nfs/dbraw/zinc/99/49/15/1107994915.db2.gz OXZJRXJVLYMCCN-UHFFFAOYSA-N 1 2 358.482 4.165 20 30 FIEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000152224200 1109309406 /nfs/dbraw/zinc/30/94/06/1109309406.db2.gz HUMHXKVKTJIOSB-KRWDZBQOSA-N 1 2 358.445 4.096 20 30 FIEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1C(F)(F)F ZINC000441268512 1109543898 /nfs/dbraw/zinc/54/38/98/1109543898.db2.gz RAONNOVGQQVHJG-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1C(F)(F)F ZINC000441268512 1109543903 /nfs/dbraw/zinc/54/39/03/1109543903.db2.gz RAONNOVGQQVHJG-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)c1 ZINC000528375199 1109976113 /nfs/dbraw/zinc/97/61/13/1109976113.db2.gz XZRNMRWWQAKXJN-UHFFFAOYSA-N 1 2 361.367 4.015 20 30 FIEDLO N#CCCn1cc(CNc2cccc(-n3cc[nH+]c3)c2)c(-c2ccccc2)n1 ZINC000120510516 1110263802 /nfs/dbraw/zinc/26/38/02/1110263802.db2.gz DWTZVBQHLGTPIT-UHFFFAOYSA-N 1 2 368.444 4.262 20 30 FIEDLO N#C[C@@H]1CC[C@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000450601131 1110317149 /nfs/dbraw/zinc/31/71/49/1110317149.db2.gz AKENTLYDXOXOHK-AEFFLSMTSA-N 1 2 367.522 4.038 20 30 FIEDLO N#C[C@@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000450601133 1110317276 /nfs/dbraw/zinc/31/72/76/1110317276.db2.gz AKENTLYDXOXOHK-SJLPKXTDSA-N 1 2 367.522 4.038 20 30 FIEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000538725069 1111275558 /nfs/dbraw/zinc/27/55/58/1111275558.db2.gz SNTMTHRSGYQVPQ-RTBURBONSA-N 1 2 354.523 4.261 20 30 FIEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000538725069 1111275563 /nfs/dbraw/zinc/27/55/63/1111275563.db2.gz SNTMTHRSGYQVPQ-RTBURBONSA-N 1 2 354.523 4.261 20 30 FIEDLO Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(Cl)cc1C#N ZINC000461944248 1111425475 /nfs/dbraw/zinc/42/54/75/1111425475.db2.gz IGJLTGRZDQDBHS-UHFFFAOYSA-N 1 2 355.873 4.303 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(C#N)c1 ZINC000462029695 1111474170 /nfs/dbraw/zinc/47/41/70/1111474170.db2.gz DNQMRSKZVXADNQ-ZDUSSCGKSA-N 1 2 350.809 4.140 20 30 FIEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1F ZINC000539325483 1111522531 /nfs/dbraw/zinc/52/25/31/1111522531.db2.gz NIALYROKOUEABC-LJQANCHMSA-N 1 2 368.387 4.373 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000552084825 1111578042 /nfs/dbraw/zinc/57/80/42/1111578042.db2.gz AMUMINPWSOXZIA-UHFFFAOYSA-N 1 2 367.287 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000552084825 1111578045 /nfs/dbraw/zinc/57/80/45/1111578045.db2.gz AMUMINPWSOXZIA-UHFFFAOYSA-N 1 2 367.287 4.004 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000477976627 1111624104 /nfs/dbraw/zinc/62/41/04/1111624104.db2.gz PSHLXFXRRWFBPC-UHFFFAOYSA-N 1 2 374.444 4.445 20 30 FIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554310122 1112296080 /nfs/dbraw/zinc/29/60/80/1112296080.db2.gz IFDQPKSAGGAJTG-QGZVFWFLSA-N 1 2 371.506 4.267 20 30 FIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554310122 1112296083 /nfs/dbraw/zinc/29/60/83/1112296083.db2.gz IFDQPKSAGGAJTG-QGZVFWFLSA-N 1 2 371.506 4.267 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000554559358 1112399882 /nfs/dbraw/zinc/39/98/82/1112399882.db2.gz QBZXLBXBWSGNJO-UHFFFAOYSA-N 1 2 360.486 4.262 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(N(C)CCOC)nc1 ZINC000483149870 1113455022 /nfs/dbraw/zinc/45/50/22/1113455022.db2.gz ODINPEGKXNTQNY-UHFFFAOYSA-N 1 2 365.930 4.067 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(N(C)CCOC)nc1 ZINC000483149870 1113455024 /nfs/dbraw/zinc/45/50/24/1113455024.db2.gz ODINPEGKXNTQNY-UHFFFAOYSA-N 1 2 365.930 4.067 20 30 FIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000029464454 1114305047 /nfs/dbraw/zinc/30/50/47/1114305047.db2.gz WDJOCSMDQBFMSY-UHFFFAOYSA-N 1 2 371.456 4.348 20 30 FIEDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000571688995 1114491702 /nfs/dbraw/zinc/49/17/02/1114491702.db2.gz ZBCBIPSQTSIANY-OAQYLSRUSA-N 1 2 374.444 4.166 20 30 FIEDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000571688995 1114491706 /nfs/dbraw/zinc/49/17/06/1114491706.db2.gz ZBCBIPSQTSIANY-OAQYLSRUSA-N 1 2 374.444 4.166 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000588204583 1114555259 /nfs/dbraw/zinc/55/52/59/1114555259.db2.gz YXFPOOFYOXLTMT-UHFFFAOYSA-N 1 2 356.267 4.095 20 30 FIEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc(OCCCC#N)c1 ZINC000572286652 1114633345 /nfs/dbraw/zinc/63/33/45/1114633345.db2.gz UGPAVVYWBZDOFH-UHFFFAOYSA-N 1 2 368.462 4.113 20 30 FIEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc(OCCCC#N)c1 ZINC000572286652 1114633348 /nfs/dbraw/zinc/63/33/48/1114633348.db2.gz UGPAVVYWBZDOFH-UHFFFAOYSA-N 1 2 368.462 4.113 20 30 FIEDLO N#Cc1c(F)cccc1CN(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000589993333 1114871951 /nfs/dbraw/zinc/87/19/51/1114871951.db2.gz MJPXIMUAKSMSAF-UHFFFAOYSA-N 1 2 368.843 4.250 20 30 FIEDLO C=CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1 ZINC000590552226 1114945503 /nfs/dbraw/zinc/94/55/03/1114945503.db2.gz FYFFOAIKSDTZPO-UHFFFAOYSA-N 1 2 351.475 4.095 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000058205589 1115138776 /nfs/dbraw/zinc/13/87/76/1115138776.db2.gz HLFXCHXLUSZVHZ-UHFFFAOYSA-N 1 2 355.511 4.025 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000058205589 1115138778 /nfs/dbraw/zinc/13/87/78/1115138778.db2.gz HLFXCHXLUSZVHZ-UHFFFAOYSA-N 1 2 355.511 4.025 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611937 1115553939 /nfs/dbraw/zinc/55/39/39/1115553939.db2.gz PPTNHMXQPHKWFW-RYUDHWBXSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611937 1115553942 /nfs/dbraw/zinc/55/39/42/1115553942.db2.gz PPTNHMXQPHKWFW-RYUDHWBXSA-N 1 2 373.806 4.311 20 30 FIEDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1OC(F)F ZINC000597177462 1115646924 /nfs/dbraw/zinc/64/69/24/1115646924.db2.gz MPCOXEJDKLLJGW-LBPRGKRZSA-N 1 2 373.241 4.485 20 30 FIEDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1OC(F)F ZINC000597177462 1115646925 /nfs/dbraw/zinc/64/69/25/1115646925.db2.gz MPCOXEJDKLLJGW-LBPRGKRZSA-N 1 2 373.241 4.485 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598944886 1115769952 /nfs/dbraw/zinc/76/99/52/1115769952.db2.gz BXXOAEXHKWHEEJ-UHFFFAOYSA-N 1 2 370.294 4.204 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2nccc(Br)c2C1 ZINC000598944886 1115769956 /nfs/dbraw/zinc/76/99/56/1115769956.db2.gz BXXOAEXHKWHEEJ-UHFFFAOYSA-N 1 2 370.294 4.204 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000599341956 1115808448 /nfs/dbraw/zinc/80/84/48/1115808448.db2.gz FPFPVFGUXCQJND-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000599341956 1115808450 /nfs/dbraw/zinc/80/84/50/1115808450.db2.gz FPFPVFGUXCQJND-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO CCc1ccc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000599668030 1115834696 /nfs/dbraw/zinc/83/46/96/1115834696.db2.gz AGNNXVIAZABGJD-UHFFFAOYSA-N 1 2 353.491 4.000 20 30 FIEDLO CC(C)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000604492517 1115867789 /nfs/dbraw/zinc/86/77/89/1115867789.db2.gz RSLAPBYSUYKMPS-UHFFFAOYSA-N 1 2 371.506 4.331 20 30 FIEDLO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000604492517 1115867791 /nfs/dbraw/zinc/86/77/91/1115867791.db2.gz RSLAPBYSUYKMPS-UHFFFAOYSA-N 1 2 371.506 4.331 20 30 FIEDLO CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000604527949 1115869145 /nfs/dbraw/zinc/86/91/45/1115869145.db2.gz DLCKVFRBUNQUBD-AWEZNQCLSA-N 1 2 370.522 4.386 20 30 FIEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)c(Br)c1 ZINC000534145519 1116162214 /nfs/dbraw/zinc/16/22/14/1116162214.db2.gz UTOBOYRWFMWMQZ-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccc(F)cc1 ZINC000534519834 1116208881 /nfs/dbraw/zinc/20/88/81/1116208881.db2.gz KBZLNWWZBDAWQR-UHFFFAOYSA-N 1 2 370.453 4.275 20 30 FIEDLO Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(C)c[nH+]1 ZINC000535036246 1116261722 /nfs/dbraw/zinc/26/17/22/1116261722.db2.gz LYKODCZJHUYGCV-UHFFFAOYSA-N 1 2 357.413 4.345 20 30 FIEDLO Fc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1C(F)(F)F ZINC000535072715 1116267431 /nfs/dbraw/zinc/26/74/31/1116267431.db2.gz CCYILSLINAIGIK-LLVKDONJSA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1C(F)(F)F ZINC000535072715 1116267433 /nfs/dbraw/zinc/26/74/33/1116267433.db2.gz CCYILSLINAIGIK-LLVKDONJSA-N 1 2 359.285 4.388 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](c2ccco2)C1 ZINC000464847742 1118720784 /nfs/dbraw/zinc/72/07/84/1118720784.db2.gz GPUUXSDMDHFJOW-CXAGYDPISA-N 1 2 357.841 4.216 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](c2ccco2)C1 ZINC000464847742 1118720787 /nfs/dbraw/zinc/72/07/87/1118720787.db2.gz GPUUXSDMDHFJOW-CXAGYDPISA-N 1 2 357.841 4.216 20 30 FIEDLO CC[N@H+](Cc1ncc(Br)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000542152823 1118814736 /nfs/dbraw/zinc/81/47/36/1118814736.db2.gz SYLVLVVALCEQES-NSHDSACASA-N 1 2 350.285 4.360 20 30 FIEDLO CC[N@@H+](Cc1ncc(Br)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000542152823 1118814740 /nfs/dbraw/zinc/81/47/40/1118814740.db2.gz SYLVLVVALCEQES-NSHDSACASA-N 1 2 350.285 4.360 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000030581101 1119035101 /nfs/dbraw/zinc/03/51/01/1119035101.db2.gz BDMDYMALBPZGTH-HNNXBMFYSA-N 1 2 371.506 4.192 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000030581101 1119035105 /nfs/dbraw/zinc/03/51/05/1119035105.db2.gz BDMDYMALBPZGTH-HNNXBMFYSA-N 1 2 371.506 4.192 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000761760142 1120356643 /nfs/dbraw/zinc/35/66/43/1120356643.db2.gz JRJDFNFRJABNBZ-HSZRJFAPSA-N 1 2 358.441 4.164 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCO2)c1 ZINC000761760142 1120356647 /nfs/dbraw/zinc/35/66/47/1120356647.db2.gz JRJDFNFRJABNBZ-HSZRJFAPSA-N 1 2 358.441 4.164 20 30 FIEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761761431 1120356832 /nfs/dbraw/zinc/35/68/32/1120356832.db2.gz ZEAWNHCQEGRYRB-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761761431 1120356834 /nfs/dbraw/zinc/35/68/34/1120356834.db2.gz ZEAWNHCQEGRYRB-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494942983 1120392491 /nfs/dbraw/zinc/39/24/91/1120392491.db2.gz SJQCHIBARBBNDU-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000914783753 1120533916 /nfs/dbraw/zinc/53/39/16/1120533916.db2.gz FAWKHXVWCJCKJH-UHFFFAOYSA-N 1 2 372.538 4.498 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000914783753 1120533921 /nfs/dbraw/zinc/53/39/21/1120533921.db2.gz FAWKHXVWCJCKJH-UHFFFAOYSA-N 1 2 372.538 4.498 20 30 FIEDLO C[C@H](c1nnc(SCC2(C#N)CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000915465712 1120951723 /nfs/dbraw/zinc/95/17/23/1120951723.db2.gz IHDCQNZKQYZHHC-CQSZACIVSA-N 1 2 373.501 4.205 20 30 FIEDLO N#C[C@@H](C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041399 1121096810 /nfs/dbraw/zinc/09/68/10/1121096810.db2.gz MUVJQRBVZGRXND-KNQAVFIVSA-N 1 2 355.441 4.076 20 30 FIEDLO N#C[C@@H](C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041399 1121096820 /nfs/dbraw/zinc/09/68/20/1121096820.db2.gz MUVJQRBVZGRXND-KNQAVFIVSA-N 1 2 355.441 4.076 20 30 FIEDLO Clc1ccc2c(N=NC3CCN(c4cccc[nH+]4)CC3)ccnc2c1 ZINC000915934437 1121354339 /nfs/dbraw/zinc/35/43/39/1121354339.db2.gz DCUSJHWXKPQEML-UHFFFAOYSA-N 1 2 351.841 4.352 20 30 FIEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1ccc(C#N)cc1 ZINC000915961258 1121364009 /nfs/dbraw/zinc/36/40/09/1121364009.db2.gz CIPJKFQJJCPNTG-UHFFFAOYSA-N 1 2 370.460 4.099 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000671720921 1121519504 /nfs/dbraw/zinc/51/95/04/1121519504.db2.gz MOQITQRQBFZFOP-UHFFFAOYSA-N 1 2 368.433 4.014 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000671720921 1121519508 /nfs/dbraw/zinc/51/95/08/1121519508.db2.gz MOQITQRQBFZFOP-UHFFFAOYSA-N 1 2 368.433 4.014 20 30 FIEDLO CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000916539668 1121537339 /nfs/dbraw/zinc/53/73/39/1121537339.db2.gz CLVGGGSMLICHKG-UHFFFAOYSA-N 1 2 368.437 4.122 20 30 FIEDLO C#CC[NH2+][C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000916573698 1121549970 /nfs/dbraw/zinc/54/99/70/1121549970.db2.gz QMFYHZRGDMJDLW-INIZCTEOSA-N 1 2 366.770 4.261 20 30 FIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918034497 1122531493 /nfs/dbraw/zinc/53/14/93/1122531493.db2.gz RFQHJAZIADLOHZ-OAQYLSRUSA-N 1 2 373.460 4.140 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000130907543 1122950993 /nfs/dbraw/zinc/95/09/93/1122950993.db2.gz UCXLARMCICIOTI-IHPCNDPISA-N 1 2 352.482 4.183 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc(COC)o2)c1C ZINC000131212857 1123003732 /nfs/dbraw/zinc/00/37/32/1123003732.db2.gz WVCQHEFAOVIPLJ-IBGZPJMESA-N 1 2 356.466 4.050 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)c1C ZINC000131212857 1123003735 /nfs/dbraw/zinc/00/37/35/1123003735.db2.gz WVCQHEFAOVIPLJ-IBGZPJMESA-N 1 2 356.466 4.050 20 30 FIEDLO CCC[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000499092733 1123237883 /nfs/dbraw/zinc/23/78/83/1123237883.db2.gz HNDJGNLYXZZJBP-JOCHJYFZSA-N 1 2 367.537 4.199 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2F)c(SC)cc1OC ZINC000152634260 1123377980 /nfs/dbraw/zinc/37/79/80/1123377980.db2.gz BWJPPLINYOKVQI-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2F)c(SC)cc1OC ZINC000152634260 1123377988 /nfs/dbraw/zinc/37/79/88/1123377988.db2.gz BWJPPLINYOKVQI-UHFFFAOYSA-N 1 2 360.454 4.068 20 30 FIEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609388435 1123700192 /nfs/dbraw/zinc/70/01/92/1123700192.db2.gz DRBWLKUIIYZDEU-ZDUSSCGKSA-N 1 2 373.444 4.151 20 30 FIEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609388435 1123700198 /nfs/dbraw/zinc/70/01/98/1123700198.db2.gz DRBWLKUIIYZDEU-ZDUSSCGKSA-N 1 2 373.444 4.151 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000135181076 1123724390 /nfs/dbraw/zinc/72/43/90/1123724390.db2.gz DDGAHHXTRLVYLD-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000135181076 1123724395 /nfs/dbraw/zinc/72/43/95/1123724395.db2.gz DDGAHHXTRLVYLD-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609555285 1123755340 /nfs/dbraw/zinc/75/53/40/1123755340.db2.gz CYTDBDXNIWCGOI-CVEARBPZSA-N 1 2 369.494 4.004 20 30 FIEDLO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000245673084 1124185317 /nfs/dbraw/zinc/18/53/17/1124185317.db2.gz KNLWGCJQHHZTHE-RBQRDFNRSA-N 1 2 370.443 4.186 20 30 FIEDLO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000245673084 1124185322 /nfs/dbraw/zinc/18/53/22/1124185322.db2.gz KNLWGCJQHHZTHE-RBQRDFNRSA-N 1 2 370.443 4.186 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000301434438 1124230219 /nfs/dbraw/zinc/23/02/19/1124230219.db2.gz HAMIYPDNPCCEPB-UHFFFAOYSA-N 1 2 354.885 4.359 20 30 FIEDLO N#Cc1cccc(Cl)c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302156795 1124288614 /nfs/dbraw/zinc/28/86/14/1124288614.db2.gz NADPUCRMBYOZEU-UHFFFAOYSA-N 1 2 362.864 4.214 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000060482800 1124567618 /nfs/dbraw/zinc/56/76/18/1124567618.db2.gz GIQQKVNHWZUEAN-UHFFFAOYSA-N 1 2 356.828 4.446 20 30 FIEDLO COc1ccc(F)cc1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450314 1125183865 /nfs/dbraw/zinc/18/38/65/1125183865.db2.gz LUQHNPHDJDHKQF-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO COc1ccc(F)cc1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450314 1125183868 /nfs/dbraw/zinc/18/38/68/1125183868.db2.gz LUQHNPHDJDHKQF-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602491034 567986167 /nfs/dbraw/zinc/98/61/67/567986167.db2.gz NBSKKPOOOOAJDG-QGZVFWFLSA-N 1 2 359.539 4.059 20 30 FIEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH+]c2c1 ZINC000408226683 568053570 /nfs/dbraw/zinc/05/35/70/568053570.db2.gz OVDFUCXRXRFFGL-INIZCTEOSA-N 1 2 357.461 4.011 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481783700 568124786 /nfs/dbraw/zinc/12/47/86/568124786.db2.gz GXNHBMXFTBKAFV-UHFFFAOYSA-N 1 2 357.866 4.001 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481783700 568124787 /nfs/dbraw/zinc/12/47/87/568124787.db2.gz GXNHBMXFTBKAFV-UHFFFAOYSA-N 1 2 357.866 4.001 20 30 FIEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000481834233 568145801 /nfs/dbraw/zinc/14/58/01/568145801.db2.gz ATNFXRBOECAGAF-UHFFFAOYSA-N 1 2 371.868 4.240 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000330344607 568279357 /nfs/dbraw/zinc/27/93/57/568279357.db2.gz DDSPMXCDMSGTAQ-QGZVFWFLSA-N 1 2 365.477 4.010 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768875 1125515140 /nfs/dbraw/zinc/51/51/40/1125515140.db2.gz VWMBLHVQVNFLAL-AUUYWEPGSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768875 1125515146 /nfs/dbraw/zinc/51/51/46/1125515146.db2.gz VWMBLHVQVNFLAL-AUUYWEPGSA-N 1 2 359.491 4.153 20 30 FIEDLO COc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000619674351 1125652170 /nfs/dbraw/zinc/65/21/70/1125652170.db2.gz CLNNPTYIMVFZQE-CHWSQXEVSA-N 1 2 366.305 4.130 20 30 FIEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)n1cc[nH+]c1 ZINC000579718385 1079568267 /nfs/dbraw/zinc/56/82/67/1079568267.db2.gz RWFNWCSUEMXJBA-ZDUSSCGKSA-N 1 2 362.458 4.172 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001143373178 1079745575 /nfs/dbraw/zinc/74/55/75/1079745575.db2.gz UFURGMRPJDRVTD-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001143373178 1079745582 /nfs/dbraw/zinc/74/55/82/1079745582.db2.gz UFURGMRPJDRVTD-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccsc3)CC2)c(C#N)c1C ZINC000186940611 1079747784 /nfs/dbraw/zinc/74/77/84/1079747784.db2.gz VPGLOKUBYFGFJK-ZDUSSCGKSA-N 1 2 357.479 4.036 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000186958550 1079753019 /nfs/dbraw/zinc/75/30/19/1079753019.db2.gz GLINOYHUPWWOMD-UHFFFAOYSA-N 1 2 351.837 4.127 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccc(C#N)c1 ZINC000063300799 1080246426 /nfs/dbraw/zinc/24/64/26/1080246426.db2.gz ZDODINOVAYRQKG-UHFFFAOYSA-N 1 2 367.880 4.455 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccc(C#N)c1 ZINC000063300799 1080246432 /nfs/dbraw/zinc/24/64/32/1080246432.db2.gz ZDODINOVAYRQKG-UHFFFAOYSA-N 1 2 367.880 4.455 20 30 FIEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3Br)CCC2)n1 ZINC000275164483 1080579857 /nfs/dbraw/zinc/57/98/57/1080579857.db2.gz JRJLNLQBRCCRRL-UHFFFAOYSA-N 1 2 362.296 4.255 20 30 FIEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177112009 1081189773 /nfs/dbraw/zinc/18/97/73/1081189773.db2.gz VPVRQEOXKWDTJK-QGZVFWFLSA-N 1 2 369.490 4.021 20 30 FIEDLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177112009 1081189775 /nfs/dbraw/zinc/18/97/75/1081189775.db2.gz VPVRQEOXKWDTJK-QGZVFWFLSA-N 1 2 369.490 4.021 20 30 FIEDLO Cc1cccc(C[NH+](CCOc2cccc(C#N)c2)Cc2cccc(C)n2)n1 ZINC000083595349 1081946587 /nfs/dbraw/zinc/94/65/87/1081946587.db2.gz OQKCWXDDGRXJFD-UHFFFAOYSA-N 1 2 372.472 4.046 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000471720084 1082914519 /nfs/dbraw/zinc/91/45/19/1082914519.db2.gz GAZRLXAAEUOPND-UHFFFAOYSA-N 1 2 360.461 4.160 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000430721270 1083132349 /nfs/dbraw/zinc/13/23/49/1083132349.db2.gz BTZGRVLSBGFUDE-LEWJYISDSA-N 1 2 372.472 4.153 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000430721270 1083132353 /nfs/dbraw/zinc/13/23/53/1083132353.db2.gz BTZGRVLSBGFUDE-LEWJYISDSA-N 1 2 372.472 4.153 20 30 FIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933848568 1083308958 /nfs/dbraw/zinc/30/89/58/1083308958.db2.gz XABKOPFMDGQASJ-UHFFFAOYSA-N 1 2 365.481 4.139 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000535758394 1083629023 /nfs/dbraw/zinc/62/90/23/1083629023.db2.gz MSXOXLSJNACTRH-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000535758394 1083629037 /nfs/dbraw/zinc/62/90/37/1083629037.db2.gz MSXOXLSJNACTRH-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)OCC ZINC000535896862 1083930866 /nfs/dbraw/zinc/93/08/66/1083930866.db2.gz PAAWTVADSCJKFF-LJQANCHMSA-N 1 2 353.466 4.196 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116527 1084044209 /nfs/dbraw/zinc/04/42/09/1084044209.db2.gz GEWJVJDSDOGNBE-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116527 1084044220 /nfs/dbraw/zinc/04/42/20/1084044220.db2.gz GEWJVJDSDOGNBE-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000162267181 1084051191 /nfs/dbraw/zinc/05/11/91/1084051191.db2.gz AYKOUXCQPMYCFW-UHFFFAOYSA-N 1 2 367.840 4.215 20 30 FIEDLO C=CC[C@@H]1N(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1(C)C ZINC000685835494 1084289767 /nfs/dbraw/zinc/28/97/67/1084289767.db2.gz AXFQAYVJEZGKOE-FQEVSTJZSA-N 1 2 351.494 4.067 20 30 FIEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178533186 1084641963 /nfs/dbraw/zinc/64/19/63/1084641963.db2.gz VUEXOYIZQYKKHU-LEWJYISDSA-N 1 2 371.444 4.114 20 30 FIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000582092585 1084669985 /nfs/dbraw/zinc/66/99/85/1084669985.db2.gz YGEVCGNWBAVGCE-UHFFFAOYSA-N 1 2 367.412 4.195 20 30 FIEDLO N#Cc1csc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)n1 ZINC000582552124 1084741336 /nfs/dbraw/zinc/74/13/36/1084741336.db2.gz XLGDBMBEMCAORP-KRWDZBQOSA-N 1 2 354.866 4.137 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ccc1F ZINC000120074085 1084885648 /nfs/dbraw/zinc/88/56/48/1084885648.db2.gz ZCTLZCBTJBWGFY-UONOGXRCSA-N 1 2 350.397 4.468 20 30 FIEDLO Cc1cnc([C@H]([NH2+]Cc2ccc(Br)cc2C#N)C2CC2)s1 ZINC000583280781 1086512594 /nfs/dbraw/zinc/51/25/94/1086512594.db2.gz OXYUGINKKLJPKR-OAHLLOKOSA-N 1 2 362.296 4.327 20 30 FIEDLO C=CCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000165975186 1086591621 /nfs/dbraw/zinc/59/16/21/1086591621.db2.gz HGYXEQXJWIPMGI-UHFFFAOYSA-N 1 2 359.495 4.234 20 30 FIEDLO C=CCCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000165975186 1086591627 /nfs/dbraw/zinc/59/16/27/1086591627.db2.gz HGYXEQXJWIPMGI-UHFFFAOYSA-N 1 2 359.495 4.234 20 30 FIEDLO N#CCCn1cc(CNc2ccc(N3CCCC3)[nH+]c2)c(-c2ccccc2)n1 ZINC000163218513 1086803708 /nfs/dbraw/zinc/80/37/08/1086803708.db2.gz WWOPPKFFEMDUAH-UHFFFAOYSA-N 1 2 372.476 4.071 20 30 FIEDLO C=CC[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@H](C)COC ZINC000661243427 1086975747 /nfs/dbraw/zinc/97/57/47/1086975747.db2.gz LHMFBHOCJQAHLM-LLVKDONJSA-N 1 2 356.253 4.066 20 30 FIEDLO C=CC[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@H](C)COC ZINC000661243427 1086975752 /nfs/dbraw/zinc/97/57/52/1086975752.db2.gz LHMFBHOCJQAHLM-LLVKDONJSA-N 1 2 356.253 4.066 20 30 FIEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1F ZINC000635490538 1087185895 /nfs/dbraw/zinc/18/58/95/1087185895.db2.gz VEESVRWXMXMIKT-LLVKDONJSA-N 1 2 369.240 4.173 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(F)(F)F ZINC000685442330 1087568586 /nfs/dbraw/zinc/56/85/86/1087568586.db2.gz DFNNXLCWUGBTSJ-UHFFFAOYSA-N 1 2 355.356 4.249 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(F)(F)F ZINC000685442330 1087568588 /nfs/dbraw/zinc/56/85/88/1087568588.db2.gz DFNNXLCWUGBTSJ-UHFFFAOYSA-N 1 2 355.356 4.249 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000472337475 1087599779 /nfs/dbraw/zinc/59/97/79/1087599779.db2.gz PQZIJRJKZZLWSB-XCLFUZPHSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000472337475 1087599780 /nfs/dbraw/zinc/59/97/80/1087599780.db2.gz PQZIJRJKZZLWSB-XCLFUZPHSA-N 1 2 371.843 4.372 20 30 FIEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC000184740653 1087673149 /nfs/dbraw/zinc/67/31/49/1087673149.db2.gz BDEUBOVUWDUVNS-LBPRGKRZSA-N 1 2 354.397 4.306 20 30 FIEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2OC(F)F)nn1 ZINC000424300003 1087904951 /nfs/dbraw/zinc/90/49/51/1087904951.db2.gz WMVYVXCKDKCURW-CYBMUJFWSA-N 1 2 358.392 4.070 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505023224 1088058725 /nfs/dbraw/zinc/05/87/25/1088058725.db2.gz KKHCCDKMLXFERE-UHFFFAOYSA-N 1 2 355.507 4.216 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c1C ZINC000434905918 1089128379 /nfs/dbraw/zinc/12/83/79/1089128379.db2.gz SHKFPWYLNFQKFW-UHFFFAOYSA-N 1 2 358.526 4.145 20 30 FIEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892973890 1089533729 /nfs/dbraw/zinc/53/37/29/1089533729.db2.gz XXDFBQKTNBFZAP-ZDUSSCGKSA-N 1 2 355.385 4.133 20 30 FIEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2Cl)cc1 ZINC000511609364 1090712636 /nfs/dbraw/zinc/71/26/36/1090712636.db2.gz JPPLCKIFHMBSIO-UHFFFAOYSA-N 1 2 366.808 4.229 20 30 FIEDLO N#CCCC[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000431934039 1090778605 /nfs/dbraw/zinc/77/86/05/1090778605.db2.gz CWURNGNGDDNSMD-NRFANRHFSA-N 1 2 373.460 4.107 20 30 FIEDLO C=C(CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000500109445 1091044224 /nfs/dbraw/zinc/04/42/24/1091044224.db2.gz MQEFJQSSLOLFNT-JOCHJYFZSA-N 1 2 374.488 4.254 20 30 FIEDLO C#CCCCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000780366064 1091489340 /nfs/dbraw/zinc/48/93/40/1091489340.db2.gz PEEBVUNBGXJHLV-GOSISDBHSA-N 1 2 364.892 4.316 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000512532093 1092658417 /nfs/dbraw/zinc/65/84/17/1092658417.db2.gz LOWYKJWAQFOXGM-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000512532093 1092658423 /nfs/dbraw/zinc/65/84/23/1092658423.db2.gz LOWYKJWAQFOXGM-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)CC2 ZINC001143538520 1092723324 /nfs/dbraw/zinc/72/33/24/1092723324.db2.gz OMEBLKWRYNFKOM-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)CC2 ZINC001143538520 1092723328 /nfs/dbraw/zinc/72/33/28/1092723328.db2.gz OMEBLKWRYNFKOM-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)[nH+]c12 ZINC000521726986 1092895787 /nfs/dbraw/zinc/89/57/87/1092895787.db2.gz QWIZTFHNJVMTEJ-AWEZNQCLSA-N 1 2 364.474 4.076 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000512557324 1092915486 /nfs/dbraw/zinc/91/54/86/1092915486.db2.gz PFHXTBRWUZTSRA-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000512557324 1092915491 /nfs/dbraw/zinc/91/54/91/1092915491.db2.gz PFHXTBRWUZTSRA-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000614167577 1093038951 /nfs/dbraw/zinc/03/89/51/1093038951.db2.gz YSYNPZRXJYUESQ-OAQYLSRUSA-N 1 2 373.928 4.215 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411143817 1093126413 /nfs/dbraw/zinc/12/64/13/1093126413.db2.gz ZIYYXBYNGHQULI-CYBMUJFWSA-N 1 2 371.531 4.185 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411143817 1093126419 /nfs/dbraw/zinc/12/64/19/1093126419.db2.gz ZIYYXBYNGHQULI-CYBMUJFWSA-N 1 2 371.531 4.185 20 30 FIEDLO COc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1OCCCC#N ZINC000512849005 1093449359 /nfs/dbraw/zinc/44/93/59/1093449359.db2.gz BARQLKJFMDFEOK-UHFFFAOYSA-N 1 2 352.425 4.435 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327966 1093588925 /nfs/dbraw/zinc/58/89/25/1093588925.db2.gz USEPQLWWDXAOHP-CZUORRHYSA-N 1 2 371.868 4.238 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327966 1093588927 /nfs/dbraw/zinc/58/89/27/1093588927.db2.gz USEPQLWWDXAOHP-CZUORRHYSA-N 1 2 371.868 4.238 20 30 FIEDLO C[N@H+](CCC(=O)c1cccs1)Cc1ccc(Br)cc1C#N ZINC001141817163 1093592338 /nfs/dbraw/zinc/59/23/38/1093592338.db2.gz ZDFSOQPRUBZHPC-UHFFFAOYSA-N 1 2 363.280 4.087 20 30 FIEDLO C[N@@H+](CCC(=O)c1cccs1)Cc1ccc(Br)cc1C#N ZINC001141817163 1093592349 /nfs/dbraw/zinc/59/23/49/1093592349.db2.gz ZDFSOQPRUBZHPC-UHFFFAOYSA-N 1 2 363.280 4.087 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(F)c1F ZINC000430033264 1094374008 /nfs/dbraw/zinc/37/40/08/1094374008.db2.gz JOZWNCOOSVVMIC-UHFFFAOYSA-N 1 2 367.264 4.474 20 30 FIEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000026644403 1094569088 /nfs/dbraw/zinc/56/90/88/1094569088.db2.gz GBYHSNQUQBPTDH-UHFFFAOYSA-N 1 2 350.437 4.409 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019272 1094713530 /nfs/dbraw/zinc/71/35/30/1094713530.db2.gz HIQDPNFWWYNTRD-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019272 1094713550 /nfs/dbraw/zinc/71/35/50/1094713550.db2.gz HIQDPNFWWYNTRD-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO N#CC1(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC000501527878 1094754772 /nfs/dbraw/zinc/75/47/72/1094754772.db2.gz NMPSMTFHFAOWCK-OAQYLSRUSA-N 1 2 365.908 4.351 20 30 FIEDLO C[C@@]1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCCOC1 ZINC000329315121 1094837665 /nfs/dbraw/zinc/83/76/65/1094837665.db2.gz HEISLCIMFXLYGW-HXUWFJFHSA-N 1 2 371.506 4.106 20 30 FIEDLO C[C@@]1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCCOC1 ZINC000329315121 1094837691 /nfs/dbraw/zinc/83/76/91/1094837691.db2.gz HEISLCIMFXLYGW-HXUWFJFHSA-N 1 2 371.506 4.106 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ncc(C2CCCCC2)s1 ZINC000329433865 1094904597 /nfs/dbraw/zinc/90/45/97/1094904597.db2.gz IKPVDPBOYMZFSZ-UHFFFAOYSA-N 1 2 359.499 4.250 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185790493 1094924143 /nfs/dbraw/zinc/92/41/43/1094924143.db2.gz BYBFRPUEMZMMJZ-UHFFFAOYSA-N 1 2 359.882 4.091 20 30 FIEDLO C[C@H]1CCN(C([O-])=[NH+]c2nc3c(s2)CCCC3(C)C)C[C@H]1n1cc[nH+]c1 ZINC000329562231 1094975411 /nfs/dbraw/zinc/97/54/11/1094975411.db2.gz JMIWKJNEUOSOPH-UONOGXRCSA-N 1 2 373.526 4.082 20 30 FIEDLO C[C@@H]1CCN(C(=O)NCc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000329947448 1095324921 /nfs/dbraw/zinc/32/49/21/1095324921.db2.gz KAEWZOFQTRBXNF-RHSMWYFYSA-N 1 2 354.479 4.095 20 30 FIEDLO Cc1coc(-c2cc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)ccc2C)n1 ZINC000330080921 1095373507 /nfs/dbraw/zinc/37/35/07/1095373507.db2.gz GPIQUONUZPWAQJ-UHFFFAOYSA-N 1 2 365.437 4.107 20 30 FIEDLO Cc1coc(-c2cc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)ccc2C)n1 ZINC000330080921 1095373526 /nfs/dbraw/zinc/37/35/26/1095373526.db2.gz GPIQUONUZPWAQJ-UHFFFAOYSA-N 1 2 365.437 4.107 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330119742 1095385520 /nfs/dbraw/zinc/38/55/20/1095385520.db2.gz IMBJCTDFTXUBFT-HYFFOGBASA-N 1 2 374.525 4.058 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330119742 1095385531 /nfs/dbraw/zinc/38/55/31/1095385531.db2.gz IMBJCTDFTXUBFT-HYFFOGBASA-N 1 2 374.525 4.058 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330119746 1095386216 /nfs/dbraw/zinc/38/62/16/1095386216.db2.gz IMBJCTDFTXUBFT-PNLZDCPESA-N 1 2 374.525 4.058 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330119746 1095386238 /nfs/dbraw/zinc/38/62/38/1095386238.db2.gz IMBJCTDFTXUBFT-PNLZDCPESA-N 1 2 374.525 4.058 20 30 FIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000330156236 1095398624 /nfs/dbraw/zinc/39/86/24/1095398624.db2.gz YRDLDUOEKPRWGV-IMJJTQAJSA-N 1 2 351.516 4.168 20 30 FIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000330156236 1095398637 /nfs/dbraw/zinc/39/86/37/1095398637.db2.gz YRDLDUOEKPRWGV-IMJJTQAJSA-N 1 2 351.516 4.168 20 30 FIEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCC(F)(F)C1 ZINC000330191114 1095411594 /nfs/dbraw/zinc/41/15/94/1095411594.db2.gz WTLVCYXJRCPPNR-GFCCVEGCSA-N 1 2 358.458 4.033 20 30 FIEDLO CC(C)(C)c1ccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330201002 1095413871 /nfs/dbraw/zinc/41/38/71/1095413871.db2.gz XDTCMSFCAAXLAF-OALUTQOASA-N 1 2 366.509 4.247 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330253126 1095437808 /nfs/dbraw/zinc/43/78/08/1095437808.db2.gz IRGHCQKVSGQEDR-WCQYABFASA-N 1 2 364.902 4.296 20 30 FIEDLO CSc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502505414 1095523209 /nfs/dbraw/zinc/52/32/09/1095523209.db2.gz BXKJSFDPQYKUKX-UHFFFAOYSA-N 1 2 363.486 4.008 20 30 FIEDLO CSc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502505414 1095523220 /nfs/dbraw/zinc/52/32/20/1095523220.db2.gz BXKJSFDPQYKUKX-UHFFFAOYSA-N 1 2 363.486 4.008 20 30 FIEDLO CCc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000502526335 1095541520 /nfs/dbraw/zinc/54/15/20/1095541520.db2.gz AANBHZQZIMBKCC-UHFFFAOYSA-N 1 2 370.456 4.460 20 30 FIEDLO CCc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000502526335 1095541540 /nfs/dbraw/zinc/54/15/40/1095541540.db2.gz AANBHZQZIMBKCC-UHFFFAOYSA-N 1 2 370.456 4.460 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000016420619 1095635327 /nfs/dbraw/zinc/63/53/27/1095635327.db2.gz ZEKVGXIJCXQHGP-KRWDZBQOSA-N 1 2 367.518 4.231 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000016420619 1095635337 /nfs/dbraw/zinc/63/53/37/1095635337.db2.gz ZEKVGXIJCXQHGP-KRWDZBQOSA-N 1 2 367.518 4.231 20 30 FIEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000532939211 1098614598 /nfs/dbraw/zinc/61/45/98/1098614598.db2.gz XQGDTQNNAPNKCX-HSZRJFAPSA-N 1 2 367.452 4.027 20 30 FIEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000532939211 1098614603 /nfs/dbraw/zinc/61/46/03/1098614603.db2.gz XQGDTQNNAPNKCX-HSZRJFAPSA-N 1 2 367.452 4.027 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989262 1098658088 /nfs/dbraw/zinc/65/80/88/1098658088.db2.gz VFZWZMGQKPWLOL-YADHBBJMSA-N 1 2 354.457 4.415 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989262 1098658091 /nfs/dbraw/zinc/65/80/91/1098658091.db2.gz VFZWZMGQKPWLOL-YADHBBJMSA-N 1 2 354.457 4.415 20 30 FIEDLO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000425539719 1099006793 /nfs/dbraw/zinc/00/67/93/1099006793.db2.gz UJIRFXOUNKPCCP-GFCCVEGCSA-N 1 2 352.463 4.078 20 30 FIEDLO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000425539719 1099006806 /nfs/dbraw/zinc/00/68/06/1099006806.db2.gz UJIRFXOUNKPCCP-GFCCVEGCSA-N 1 2 352.463 4.078 20 30 FIEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000505831979 1099047689 /nfs/dbraw/zinc/04/76/89/1099047689.db2.gz JSMTYPFRKIGXBZ-OAQYLSRUSA-N 1 2 372.472 4.224 20 30 FIEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000459389468 1099385656 /nfs/dbraw/zinc/38/56/56/1099385656.db2.gz QKTRXXGRETXGIK-CYBMUJFWSA-N 1 2 369.396 4.245 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c(OC(F)F)c1 ZINC000437413167 1099903895 /nfs/dbraw/zinc/90/38/95/1099903895.db2.gz ZIXKLLHZANMHFL-HXUWFJFHSA-N 1 2 365.383 4.434 20 30 FIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437418527 1099905746 /nfs/dbraw/zinc/90/57/46/1099905746.db2.gz NCMAUOUJRBMYKN-UHFFFAOYSA-N 1 2 373.359 4.256 20 30 FIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437418527 1099905748 /nfs/dbraw/zinc/90/57/48/1099905748.db2.gz NCMAUOUJRBMYKN-UHFFFAOYSA-N 1 2 373.359 4.256 20 30 FIEDLO N#CCOc1ccccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001270236104 1099996380 /nfs/dbraw/zinc/99/63/80/1099996380.db2.gz PHKXFLOASJZPKJ-UHFFFAOYSA-N 1 2 372.428 4.041 20 30 FIEDLO COCCSc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459396656 1100122006 /nfs/dbraw/zinc/12/20/06/1100122006.db2.gz QVOWDPXILJVQRD-CQSZACIVSA-N 1 2 371.462 4.056 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000437972011 1100341968 /nfs/dbraw/zinc/34/19/68/1100341968.db2.gz GVQNEMYTZYTTSC-NRFANRHFSA-N 1 2 358.445 4.197 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000437972011 1100341977 /nfs/dbraw/zinc/34/19/77/1100341977.db2.gz GVQNEMYTZYTTSC-NRFANRHFSA-N 1 2 358.445 4.197 20 30 FIEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000506789623 1102108064 /nfs/dbraw/zinc/10/80/64/1102108064.db2.gz IIWJKLOVHIZTGT-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000506789623 1102108069 /nfs/dbraw/zinc/10/80/69/1102108069.db2.gz IIWJKLOVHIZTGT-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO Cc1cc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000842018223 1102165688 /nfs/dbraw/zinc/16/56/88/1102165688.db2.gz ZQVADNAFZXZWHL-UHFFFAOYSA-N 1 2 374.828 4.103 20 30 FIEDLO C=CC[C@@H](CC)NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001270621831 1102280351 /nfs/dbraw/zinc/28/03/51/1102280351.db2.gz CCVJIEZIJJIGBF-IAGOWNOFSA-N 1 2 365.315 4.057 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3scc(C(C)(C)C)c3C#N)[nH+]c12 ZINC000041304160 1102348577 /nfs/dbraw/zinc/34/85/77/1102348577.db2.gz VRGRHAWJPCNRDO-UHFFFAOYSA-N 1 2 352.463 4.055 20 30 FIEDLO COc1cccc2c(N3CCC(Oc4cccc(C#N)c4)CC3)cc[nH+]c12 ZINC000519763252 1103835102 /nfs/dbraw/zinc/83/51/02/1103835102.db2.gz GDMRPLFGFZCAHX-UHFFFAOYSA-N 1 2 359.429 4.163 20 30 FIEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000328917822 1104600965 /nfs/dbraw/zinc/60/09/65/1104600965.db2.gz RYVDTJXJPRAGIO-IRXDYDNUSA-N 1 2 373.522 4.120 20 30 FIEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000328917822 1104600969 /nfs/dbraw/zinc/60/09/69/1104600969.db2.gz RYVDTJXJPRAGIO-IRXDYDNUSA-N 1 2 373.522 4.120 20 30 FIEDLO C=CCC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665002636 1104653676 /nfs/dbraw/zinc/65/36/76/1104653676.db2.gz GQGXLPOGPXKBGR-SJLPKXTDSA-N 1 2 353.466 4.029 20 30 FIEDLO C=CCC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCC1 ZINC000665002636 1104653679 /nfs/dbraw/zinc/65/36/79/1104653679.db2.gz GQGXLPOGPXKBGR-SJLPKXTDSA-N 1 2 353.466 4.029 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000170983417 1105020560 /nfs/dbraw/zinc/02/05/60/1105020560.db2.gz AACCMAVOZVRVAG-HNNXBMFYSA-N 1 2 371.481 4.290 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000170983417 1105020566 /nfs/dbraw/zinc/02/05/66/1105020566.db2.gz AACCMAVOZVRVAG-HNNXBMFYSA-N 1 2 371.481 4.290 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000665626174 1106881084 /nfs/dbraw/zinc/88/10/84/1106881084.db2.gz RPJDJRCVAPOEIW-OTWHNJEPSA-N 1 2 371.525 4.116 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000665626174 1106881098 /nfs/dbraw/zinc/88/10/98/1106881098.db2.gz RPJDJRCVAPOEIW-OTWHNJEPSA-N 1 2 371.525 4.116 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152466991 1107772811 /nfs/dbraw/zinc/77/28/11/1107772811.db2.gz KTHIYYDKNXCCCL-ROUUACIJSA-N 1 2 350.865 4.109 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152466991 1107772824 /nfs/dbraw/zinc/77/28/24/1107772824.db2.gz KTHIYYDKNXCCCL-ROUUACIJSA-N 1 2 350.865 4.109 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444691178 1108093004 /nfs/dbraw/zinc/09/30/04/1108093004.db2.gz CUTFVXFVUMAUMU-CQSZACIVSA-N 1 2 364.461 4.061 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444691178 1108093018 /nfs/dbraw/zinc/09/30/18/1108093018.db2.gz CUTFVXFVUMAUMU-CQSZACIVSA-N 1 2 364.461 4.061 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083246 1109615630 /nfs/dbraw/zinc/61/56/30/1109615630.db2.gz RREVAELFFDBAKF-XZOQPEGZSA-N 1 2 356.473 4.203 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083246 1109615631 /nfs/dbraw/zinc/61/56/31/1109615631.db2.gz RREVAELFFDBAKF-XZOQPEGZSA-N 1 2 356.473 4.203 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448022827 1109696397 /nfs/dbraw/zinc/69/63/97/1109696397.db2.gz QBXDGTPQAPJTMS-IBGZPJMESA-N 1 2 351.450 4.242 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448022827 1109696401 /nfs/dbraw/zinc/69/64/01/1109696401.db2.gz QBXDGTPQAPJTMS-IBGZPJMESA-N 1 2 351.450 4.242 20 30 FIEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000448009878 1109699766 /nfs/dbraw/zinc/69/97/66/1109699766.db2.gz LCMZUUMSORSJLF-KRWDZBQOSA-N 1 2 355.438 4.225 20 30 FIEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000448009878 1109699768 /nfs/dbraw/zinc/69/97/68/1109699768.db2.gz LCMZUUMSORSJLF-KRWDZBQOSA-N 1 2 355.438 4.225 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000529531792 1110282101 /nfs/dbraw/zinc/28/21/01/1110282101.db2.gz QWXFQQGMNIKGTR-SNVBAGLBSA-N 1 2 365.300 4.025 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000529531792 1110282103 /nfs/dbraw/zinc/28/21/03/1110282103.db2.gz QWXFQQGMNIKGTR-SNVBAGLBSA-N 1 2 365.300 4.025 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000529531791 1110282165 /nfs/dbraw/zinc/28/21/65/1110282165.db2.gz QWXFQQGMNIKGTR-JTQLQIEISA-N 1 2 365.300 4.025 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000529531791 1110282167 /nfs/dbraw/zinc/28/21/67/1110282167.db2.gz QWXFQQGMNIKGTR-JTQLQIEISA-N 1 2 365.300 4.025 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000538368394 1111112445 /nfs/dbraw/zinc/11/24/45/1111112445.db2.gz DCMFTOBNPAHDFI-DBVUQKKJSA-N 1 2 352.482 4.156 20 30 FIEDLO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962997 1111442910 /nfs/dbraw/zinc/44/29/10/1111442910.db2.gz FKXBNPVEYREYAB-IAGOWNOFSA-N 1 2 362.811 4.051 20 30 FIEDLO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962997 1111442912 /nfs/dbraw/zinc/44/29/12/1111442912.db2.gz FKXBNPVEYREYAB-IAGOWNOFSA-N 1 2 362.811 4.051 20 30 FIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000462233310 1111551066 /nfs/dbraw/zinc/55/10/66/1111551066.db2.gz OGMSVEGULDWPSA-AVRDEDQJSA-N 1 2 372.472 4.033 20 30 FIEDLO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000552357919 1111689797 /nfs/dbraw/zinc/68/97/97/1111689797.db2.gz ZABWPIDTMBJHQB-GOSISDBHSA-N 1 2 370.415 4.301 20 30 FIEDLO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000552357919 1111689800 /nfs/dbraw/zinc/68/98/00/1111689800.db2.gz ZABWPIDTMBJHQB-GOSISDBHSA-N 1 2 370.415 4.301 20 30 FIEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccs1 ZINC000553986462 1112152823 /nfs/dbraw/zinc/15/28/23/1112152823.db2.gz AYVBQWQOJAUXTE-LJQANCHMSA-N 1 2 353.491 4.078 20 30 FIEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccs1 ZINC000553986462 1112152825 /nfs/dbraw/zinc/15/28/25/1112152825.db2.gz AYVBQWQOJAUXTE-LJQANCHMSA-N 1 2 353.491 4.078 20 30 FIEDLO C=CCC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000156334949 1112500420 /nfs/dbraw/zinc/50/04/20/1112500420.db2.gz SITFKDYSSYWVHD-FQEVSTJZSA-N 1 2 364.493 4.189 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000482852359 1113378556 /nfs/dbraw/zinc/37/85/56/1113378556.db2.gz ATDUGDUOCCTZMZ-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210158 1113466118 /nfs/dbraw/zinc/46/61/18/1113466118.db2.gz LJULLARGFSUMLG-IBGZPJMESA-N 1 2 370.456 4.104 20 30 FIEDLO CC[N@@H+](Cc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210158 1113466121 /nfs/dbraw/zinc/46/61/21/1113466121.db2.gz LJULLARGFSUMLG-IBGZPJMESA-N 1 2 370.456 4.104 20 30 FIEDLO C=CCCOCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814387 1113580318 /nfs/dbraw/zinc/58/03/18/1113580318.db2.gz FGBAXQSOFXFIJH-GOSISDBHSA-N 1 2 373.541 4.194 20 30 FIEDLO C=CCCOCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814387 1113580322 /nfs/dbraw/zinc/58/03/22/1113580322.db2.gz FGBAXQSOFXFIJH-GOSISDBHSA-N 1 2 373.541 4.194 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000489490548 1114121785 /nfs/dbraw/zinc/12/17/85/1114121785.db2.gz BGHURPDVEIHQJX-DOTOQJQBSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000489490548 1114121788 /nfs/dbraw/zinc/12/17/88/1114121788.db2.gz BGHURPDVEIHQJX-DOTOQJQBSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000489490551 1114121819 /nfs/dbraw/zinc/12/18/19/1114121819.db2.gz BGHURPDVEIHQJX-WBVHZDCISA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000489490551 1114121822 /nfs/dbraw/zinc/12/18/22/1114121822.db2.gz BGHURPDVEIHQJX-WBVHZDCISA-N 1 2 369.490 4.059 20 30 FIEDLO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490053456 1114211314 /nfs/dbraw/zinc/21/13/14/1114211314.db2.gz KCZCZKQFPDTEMX-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490053456 1114211316 /nfs/dbraw/zinc/21/13/16/1114211316.db2.gz KCZCZKQFPDTEMX-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000029689989 1114353681 /nfs/dbraw/zinc/35/36/81/1114353681.db2.gz YVJPALADZBMDLK-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000045715476 1115000208 /nfs/dbraw/zinc/00/02/08/1115000208.db2.gz ZALJZXSVFSEDTB-QGZVFWFLSA-N 1 2 358.445 4.026 20 30 FIEDLO CCCOc1ccc(C[N@H+](CCC)Cc2ccncc2C#N)cc1OC ZINC000592059162 1115197136 /nfs/dbraw/zinc/19/71/36/1115197136.db2.gz PALUIYCLXIYGFR-UHFFFAOYSA-N 1 2 353.466 4.163 20 30 FIEDLO CCCOc1ccc(C[N@@H+](CCC)Cc2ccncc2C#N)cc1OC ZINC000592059162 1115197138 /nfs/dbraw/zinc/19/71/38/1115197138.db2.gz PALUIYCLXIYGFR-UHFFFAOYSA-N 1 2 353.466 4.163 20 30 FIEDLO C[N@H+](Cc1ccncc1C#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000592069987 1115202177 /nfs/dbraw/zinc/20/21/77/1115202177.db2.gz DGFKDCYMUIGFLH-INIZCTEOSA-N 1 2 374.307 4.385 20 30 FIEDLO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000592069987 1115202179 /nfs/dbraw/zinc/20/21/79/1115202179.db2.gz DGFKDCYMUIGFLH-INIZCTEOSA-N 1 2 374.307 4.385 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CCC#N)CC3)n2)cc1 ZINC000574153664 1115289488 /nfs/dbraw/zinc/28/94/88/1115289488.db2.gz DBIUMWOIESXRGN-UHFFFAOYSA-N 1 2 368.506 4.073 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000059423225 1115511150 /nfs/dbraw/zinc/51/11/50/1115511150.db2.gz UQLDKDMXJCTSTD-INIZCTEOSA-N 1 2 372.896 4.214 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000059423225 1115511152 /nfs/dbraw/zinc/51/11/52/1115511152.db2.gz UQLDKDMXJCTSTD-INIZCTEOSA-N 1 2 372.896 4.214 20 30 FIEDLO Cc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1C#N ZINC000599372198 1115810926 /nfs/dbraw/zinc/81/09/26/1115810926.db2.gz UHPGFJPHNARSIP-AWEZNQCLSA-N 1 2 350.397 4.215 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CCC2)cc1 ZINC000594032078 1115965872 /nfs/dbraw/zinc/96/58/72/1115965872.db2.gz OSZXKBDQBIBWLX-UHFFFAOYSA-N 1 2 364.836 4.029 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000534342025 1116186313 /nfs/dbraw/zinc/18/63/13/1116186313.db2.gz RPJFACIPNBWLJF-UHFFFAOYSA-N 1 2 367.287 4.147 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000534342025 1116186314 /nfs/dbraw/zinc/18/63/14/1116186314.db2.gz RPJFACIPNBWLJF-UHFFFAOYSA-N 1 2 367.287 4.147 20 30 FIEDLO C=CCC1(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000457550827 1116287511 /nfs/dbraw/zinc/28/75/11/1116287511.db2.gz DCCRZKANGCVQOF-UHFFFAOYSA-N 1 2 352.482 4.010 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539428854 1116335609 /nfs/dbraw/zinc/33/56/09/1116335609.db2.gz KQUJESWDKSEDSD-MRXNPFEDSA-N 1 2 350.466 4.468 20 30 FIEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889057 1116395240 /nfs/dbraw/zinc/39/52/40/1116395240.db2.gz QHNAMZRMYOQEGK-KBPBESRZSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889057 1116395241 /nfs/dbraw/zinc/39/52/41/1116395241.db2.gz QHNAMZRMYOQEGK-KBPBESRZSA-N 1 2 362.408 4.255 20 30 FIEDLO C=CC[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000540506434 1118097100 /nfs/dbraw/zinc/09/71/00/1118097100.db2.gz HBSCLDMEIHXPPN-UHFFFAOYSA-N 1 2 368.462 4.370 20 30 FIEDLO C=CC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000540506434 1118097105 /nfs/dbraw/zinc/09/71/05/1118097105.db2.gz HBSCLDMEIHXPPN-UHFFFAOYSA-N 1 2 368.462 4.370 20 30 FIEDLO CCCCn1c(SCc2ccc(CC#N)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000541265104 1118451528 /nfs/dbraw/zinc/45/15/28/1118451528.db2.gz ZCAQERYUCXKKRR-GOSISDBHSA-N 1 2 371.554 4.449 20 30 FIEDLO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000464548263 1118597028 /nfs/dbraw/zinc/59/70/28/1118597028.db2.gz LTKCXYORYIPLAS-OAHLLOKOSA-N 1 2 355.507 4.242 20 30 FIEDLO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000464548263 1118597031 /nfs/dbraw/zinc/59/70/31/1118597031.db2.gz LTKCXYORYIPLAS-OAHLLOKOSA-N 1 2 355.507 4.242 20 30 FIEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464883651 1118732892 /nfs/dbraw/zinc/73/28/92/1118732892.db2.gz DIGJVLBHBVNBQE-QGZVFWFLSA-N 1 2 369.484 4.036 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542318725 1118900831 /nfs/dbraw/zinc/90/08/31/1118900831.db2.gz YWPHVMPGSFMTJZ-ZDUSSCGKSA-N 1 2 371.344 4.072 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542318725 1118900832 /nfs/dbraw/zinc/90/08/32/1118900832.db2.gz YWPHVMPGSFMTJZ-ZDUSSCGKSA-N 1 2 371.344 4.072 20 30 FIEDLO CC#CCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000185472032 1119665454 /nfs/dbraw/zinc/66/54/54/1119665454.db2.gz QJOSXAJFOVKKMV-UHFFFAOYSA-N 1 2 371.484 4.408 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195319814 1120144987 /nfs/dbraw/zinc/14/49/87/1120144987.db2.gz QKSHQITZSXAXAZ-UHFFFAOYSA-N 1 2 374.550 4.327 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCO2)c1 ZINC000761758045 1120345263 /nfs/dbraw/zinc/34/52/63/1120345263.db2.gz POGZGDZWUUOOJF-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCO2)c1 ZINC000761758045 1120345268 /nfs/dbraw/zinc/34/52/68/1120345268.db2.gz POGZGDZWUUOOJF-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761762134 1120353058 /nfs/dbraw/zinc/35/30/58/1120353058.db2.gz QVYFFXMIPWADTR-OAQYLSRUSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761762134 1120353063 /nfs/dbraw/zinc/35/30/63/1120353063.db2.gz QVYFFXMIPWADTR-OAQYLSRUSA-N 1 2 350.462 4.018 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000302857864 1120712215 /nfs/dbraw/zinc/71/22/15/1120712215.db2.gz RGUICQMHSKUCCT-LJQANCHMSA-N 1 2 360.548 4.182 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000302857864 1120712222 /nfs/dbraw/zinc/71/22/22/1120712222.db2.gz RGUICQMHSKUCCT-LJQANCHMSA-N 1 2 360.548 4.182 20 30 FIEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccccc1C ZINC000762480901 1120915337 /nfs/dbraw/zinc/91/53/37/1120915337.db2.gz SBZKIUOZFDGFEL-UHFFFAOYSA-N 1 2 365.506 4.193 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000237355828 1120976263 /nfs/dbraw/zinc/97/62/63/1120976263.db2.gz JODTUQBGCKVHNH-HNNXBMFYSA-N 1 2 365.433 4.161 20 30 FIEDLO N#Cc1ccc(-c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)cc1 ZINC001212358356 1121253933 /nfs/dbraw/zinc/25/39/33/1121253933.db2.gz HHWQNHSSQHUMSQ-UHFFFAOYSA-N 1 2 356.429 4.200 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000557029216 1123323674 /nfs/dbraw/zinc/32/36/74/1123323674.db2.gz YNNBDDZROCGJCH-MRXNPFEDSA-N 1 2 372.900 4.280 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000557029216 1123323680 /nfs/dbraw/zinc/32/36/80/1123323680.db2.gz YNNBDDZROCGJCH-MRXNPFEDSA-N 1 2 372.900 4.280 20 30 FIEDLO C=C[C@@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000135385374 1123745739 /nfs/dbraw/zinc/74/57/39/1123745739.db2.gz OTZCGMLEGWQRDR-FQEVSTJZSA-N 1 2 364.489 4.126 20 30 FIEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000273603850 1124274487 /nfs/dbraw/zinc/27/44/87/1124274487.db2.gz MJQBLLZIJFGTHC-CQSZACIVSA-N 1 2 364.474 4.148 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1-n1cc[nH+]c1 ZINC000302663462 1124336256 /nfs/dbraw/zinc/33/62/56/1124336256.db2.gz MEHPXSYYTQZHKE-UHFFFAOYSA-N 1 2 357.392 4.352 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000180479479 1124343419 /nfs/dbraw/zinc/34/34/19/1124343419.db2.gz OILUALTXXOLSPN-NRFANRHFSA-N 1 2 361.376 4.485 20 30 FIEDLO C[N@@H+](Cc1csc2ccccc12)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075626425 1124909872 /nfs/dbraw/zinc/90/98/72/1124909872.db2.gz AUPWMANRVQLGKX-UHFFFAOYSA-N 1 2 360.442 4.455 20 30 FIEDLO C[N@H+](Cc1csc2ccccc12)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075626425 1124909879 /nfs/dbraw/zinc/90/98/79/1124909879.db2.gz AUPWMANRVQLGKX-UHFFFAOYSA-N 1 2 360.442 4.455 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181759450 1125130962 /nfs/dbraw/zinc/13/09/62/1125130962.db2.gz DTFPOSNVSVOVNG-QWRGUYRKSA-N 1 2 363.820 4.238 20 30 FIEDLO CCCn1c2ccccc2[nH+]c1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000182171235 1125269724 /nfs/dbraw/zinc/26/97/24/1125269724.db2.gz GFFBBOMFUSGTRR-UHFFFAOYSA-N 1 2 370.460 4.331 20 30 FIEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000026227315 132306954 /nfs/dbraw/zinc/30/69/54/132306954.db2.gz QNQYHWPLCQBJRB-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO CC(C)C[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)n1cc[nH+]c1 ZINC000602094636 567932981 /nfs/dbraw/zinc/93/29/81/567932981.db2.gz CPAGCMOUOLXRDY-RDJZCZTQSA-N 1 2 356.495 4.361 20 30 FIEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000602492888 567986318 /nfs/dbraw/zinc/98/63/18/567986318.db2.gz SLECSGCLMASDHH-QGZVFWFLSA-N 1 2 364.493 4.397 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+]CC(C)(C)CC#N)cs1)c1ccc(C)c(C)c1 ZINC000602690696 568015269 /nfs/dbraw/zinc/01/52/69/568015269.db2.gz MJGZWBOSLMEEDH-UHFFFAOYSA-N 1 2 370.522 4.474 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602948728 568017555 /nfs/dbraw/zinc/01/75/55/568017555.db2.gz SOBLKUXNBIRRJK-OAHLLOKOSA-N 1 2 363.502 4.091 20 30 FIEDLO Cc1ccc(C2CCN(c3cccc(Br)c3C#N)CC2)c[nH+]1 ZINC000568702670 568129534 /nfs/dbraw/zinc/12/95/34/568129534.db2.gz ARPKNJYNAJVLDS-UHFFFAOYSA-N 1 2 356.267 4.408 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nnc1SCCc1[nH+]cc(C)cc1C ZINC000563113346 568206287 /nfs/dbraw/zinc/20/62/87/568206287.db2.gz KIJMLOOGTVURKP-UHFFFAOYSA-N 1 2 364.518 4.402 20 30 FIEDLO Cc1cc(Br)c(F)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000568788142 568216302 /nfs/dbraw/zinc/21/63/02/568216302.db2.gz ZXAUFDALBSKGBJ-UHFFFAOYSA-N 1 2 359.202 4.028 20 30 FIEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(Cl)s1 ZINC000302762642 568234806 /nfs/dbraw/zinc/23/48/06/568234806.db2.gz XMMQCLJFQBRAPF-UHFFFAOYSA-N 1 2 362.926 4.057 20 30 FIEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(Cl)s1 ZINC000302762642 568234807 /nfs/dbraw/zinc/23/48/07/568234807.db2.gz XMMQCLJFQBRAPF-UHFFFAOYSA-N 1 2 362.926 4.057 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000330344606 568277669 /nfs/dbraw/zinc/27/76/69/568277669.db2.gz DDSPMXCDMSGTAQ-KRWDZBQOSA-N 1 2 365.477 4.010 20 30 FIEDLO C[NH+]1CCN(c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000254925983 1080003132 /nfs/dbraw/zinc/00/31/32/1080003132.db2.gz FFXAJYGYFOPELT-UHFFFAOYSA-N 1 2 364.276 4.201 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748081661 1080111910 /nfs/dbraw/zinc/11/19/10/1080111910.db2.gz BIOKIVJMYQIUBG-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748081661 1080111912 /nfs/dbraw/zinc/11/19/12/1080111912.db2.gz BIOKIVJMYQIUBG-HNNXBMFYSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748082655 1080123991 /nfs/dbraw/zinc/12/39/91/1080123991.db2.gz IDQFQIDXXJQTHX-KRWDZBQOSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748082655 1080123994 /nfs/dbraw/zinc/12/39/94/1080123994.db2.gz IDQFQIDXXJQTHX-KRWDZBQOSA-N 1 2 356.539 4.270 20 30 FIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848755 1080171064 /nfs/dbraw/zinc/17/10/64/1080171064.db2.gz VMJANHZBCXATNL-IIBYNOLFSA-N 1 2 368.550 4.056 20 30 FIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848755 1080171067 /nfs/dbraw/zinc/17/10/67/1080171067.db2.gz VMJANHZBCXATNL-IIBYNOLFSA-N 1 2 368.550 4.056 20 30 FIEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ncc(Br)cc1F ZINC000275160680 1080579566 /nfs/dbraw/zinc/57/95/66/1080579566.db2.gz AQZOGBIHGJDNRZ-LLVKDONJSA-N 1 2 360.230 4.195 20 30 FIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869322 1081271478 /nfs/dbraw/zinc/27/14/78/1081271478.db2.gz DFJSHKOIOHQEID-OAQYLSRUSA-N 1 2 374.488 4.102 20 30 FIEDLO N#CCCCOc1cccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000123348844 1081473859 /nfs/dbraw/zinc/47/38/59/1081473859.db2.gz SYVXWFAFKDHJAM-UHFFFAOYSA-N 1 2 355.385 4.134 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000580250326 1081778363 /nfs/dbraw/zinc/77/83/63/1081778363.db2.gz AYQHDXYSWDBFIX-UHFFFAOYSA-N 1 2 361.445 4.068 20 30 FIEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)n1cc[nH+]c1 ZINC000579718383 1082012032 /nfs/dbraw/zinc/01/20/32/1082012032.db2.gz RWFNWCSUEMXJBA-CYBMUJFWSA-N 1 2 362.458 4.172 20 30 FIEDLO COc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000157809558 1082406325 /nfs/dbraw/zinc/40/63/25/1082406325.db2.gz QJPCCJXVHAZCNT-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1ccnc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000157809558 1082406329 /nfs/dbraw/zinc/40/63/29/1082406329.db2.gz QJPCCJXVHAZCNT-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO C#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000933364619 1082783129 /nfs/dbraw/zinc/78/31/29/1082783129.db2.gz YLBPWOPEVZMBEZ-UHFFFAOYSA-N 1 2 370.884 4.242 20 30 FIEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000612347051 1083731841 /nfs/dbraw/zinc/73/18/41/1083731841.db2.gz RTTCSJCMDJOULC-UHFFFAOYSA-N 1 2 358.401 4.064 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406544 1083774157 /nfs/dbraw/zinc/77/41/57/1083774157.db2.gz PNDSFCLNPRCLHX-QFIPXVFZSA-N 1 2 350.510 4.355 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406544 1083774166 /nfs/dbraw/zinc/77/41/66/1083774166.db2.gz PNDSFCLNPRCLHX-QFIPXVFZSA-N 1 2 350.510 4.355 20 30 FIEDLO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000180056619 1084205974 /nfs/dbraw/zinc/20/59/74/1084205974.db2.gz CJNVQEULNHTWHU-UHFFFAOYSA-N 1 2 366.415 4.259 20 30 FIEDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000180056619 1084205977 /nfs/dbraw/zinc/20/59/77/1084205977.db2.gz CJNVQEULNHTWHU-UHFFFAOYSA-N 1 2 366.415 4.259 20 30 FIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccccn1 ZINC000161343870 1085295259 /nfs/dbraw/zinc/29/52/59/1085295259.db2.gz QFWYGUQLCPLTAQ-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccccn1 ZINC000161343870 1085295271 /nfs/dbraw/zinc/29/52/71/1085295271.db2.gz QFWYGUQLCPLTAQ-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@@H]2C ZINC000611688326 1085346460 /nfs/dbraw/zinc/34/64/60/1085346460.db2.gz XSVNVYYWKDUUQQ-LSDHHAIUSA-N 1 2 374.444 4.125 20 30 FIEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@@H]2C ZINC000611688326 1085346469 /nfs/dbraw/zinc/34/64/69/1085346469.db2.gz XSVNVYYWKDUUQQ-LSDHHAIUSA-N 1 2 374.444 4.125 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000161440083 1085860403 /nfs/dbraw/zinc/86/04/03/1085860403.db2.gz DBNDBRNMEIKDNA-HXUWFJFHSA-N 1 2 350.393 4.026 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000161440083 1085860411 /nfs/dbraw/zinc/86/04/11/1085860411.db2.gz DBNDBRNMEIKDNA-HXUWFJFHSA-N 1 2 350.393 4.026 20 30 FIEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000187894423 1086074768 /nfs/dbraw/zinc/07/47/68/1086074768.db2.gz UMPLRTYCTPUWEA-UHFFFAOYSA-N 1 2 357.461 4.015 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872536 1086241228 /nfs/dbraw/zinc/24/12/28/1086241228.db2.gz FIIWWQXGNXSBDA-AZUAARDMSA-N 1 2 360.486 4.477 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872536 1086241238 /nfs/dbraw/zinc/24/12/38/1086241238.db2.gz FIIWWQXGNXSBDA-AZUAARDMSA-N 1 2 360.486 4.477 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000535962265 1086408312 /nfs/dbraw/zinc/40/83/12/1086408312.db2.gz CCSYYIOTUCFZMR-FOIQADDNSA-N 1 2 366.486 4.023 20 30 FIEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000535962265 1086408318 /nfs/dbraw/zinc/40/83/18/1086408318.db2.gz CCSYYIOTUCFZMR-FOIQADDNSA-N 1 2 366.486 4.023 20 30 FIEDLO C[C@@H]1C[C@@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000548798933 1086794605 /nfs/dbraw/zinc/79/46/05/1086794605.db2.gz TXTBLYIYDWHGNF-XCLFUZPHSA-N 1 2 364.836 4.287 20 30 FIEDLO N#Cc1cccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000178995191 1087005042 /nfs/dbraw/zinc/00/50/42/1087005042.db2.gz FXQQVWKVYUWFJZ-UHFFFAOYSA-N 1 2 371.425 4.120 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804072 1087167615 /nfs/dbraw/zinc/16/76/15/1087167615.db2.gz FNYHGNAWPBSZPU-BLLLJJGKSA-N 1 2 371.531 4.334 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804072 1087167617 /nfs/dbraw/zinc/16/76/17/1087167617.db2.gz FNYHGNAWPBSZPU-BLLLJJGKSA-N 1 2 371.531 4.334 20 30 FIEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(C(F)(F)F)c1 ZINC000080948779 1087288122 /nfs/dbraw/zinc/28/81/22/1087288122.db2.gz INXVNIZBVXLEQB-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2OC(F)F)nn1 ZINC000424300004 1087904943 /nfs/dbraw/zinc/90/49/43/1087904943.db2.gz WMVYVXCKDKCURW-ZDUSSCGKSA-N 1 2 358.392 4.070 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186913377 1088039301 /nfs/dbraw/zinc/03/93/01/1088039301.db2.gz XIWZCBYREXYXKN-UHFFFAOYSA-N 1 2 359.882 4.091 20 30 FIEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000181230573 1088268986 /nfs/dbraw/zinc/26/89/86/1088268986.db2.gz ZOLRTEPLWQWSLM-NSHDSACASA-N 1 2 363.230 4.319 20 30 FIEDLO O=C1c2cccc(Br)c2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000782891145 1088504492 /nfs/dbraw/zinc/50/44/92/1088504492.db2.gz YXWBMDPUZRMGSO-ZRDIBKRKSA-N 1 2 353.219 4.309 20 30 FIEDLO CC(C)n1c[nH+]cc1CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425366242 1089595211 /nfs/dbraw/zinc/59/52/11/1089595211.db2.gz PBCONHMHXYVYPW-CQSZACIVSA-N 1 2 350.388 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000177204620 1089795178 /nfs/dbraw/zinc/79/51/78/1089795178.db2.gz WZOHLQYOMJFPOT-MRXNPFEDSA-N 1 2 357.479 4.385 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000177204620 1089795191 /nfs/dbraw/zinc/79/51/91/1089795191.db2.gz WZOHLQYOMJFPOT-MRXNPFEDSA-N 1 2 357.479 4.385 20 30 FIEDLO C=C(CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000500109446 1091044459 /nfs/dbraw/zinc/04/44/59/1091044459.db2.gz MQEFJQSSLOLFNT-QFIPXVFZSA-N 1 2 374.488 4.254 20 30 FIEDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000584533207 1091047079 /nfs/dbraw/zinc/04/70/79/1091047079.db2.gz UGJNGRHOZUGFEE-LJQANCHMSA-N 1 2 353.447 4.065 20 30 FIEDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000584533207 1091047083 /nfs/dbraw/zinc/04/70/83/1091047083.db2.gz UGJNGRHOZUGFEE-LJQANCHMSA-N 1 2 353.447 4.065 20 30 FIEDLO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000584545528 1091161728 /nfs/dbraw/zinc/16/17/28/1091161728.db2.gz YLDQSHKRUXHCDE-CYBMUJFWSA-N 1 2 366.852 4.444 20 30 FIEDLO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000584545528 1091161731 /nfs/dbraw/zinc/16/17/31/1091161731.db2.gz YLDQSHKRUXHCDE-CYBMUJFWSA-N 1 2 366.852 4.444 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc4cc(C#N)ccc4n3)CC2)cc1 ZINC000092916953 1091456929 /nfs/dbraw/zinc/45/69/29/1091456929.db2.gz IAZAVUVCEMHFCO-UHFFFAOYSA-N 1 2 371.488 4.253 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458810997 1091677680 /nfs/dbraw/zinc/67/76/80/1091677680.db2.gz NTZKYYCQYUFTPQ-RBUKOAKNSA-N 1 2 352.482 4.013 20 30 FIEDLO C=C(C)CCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001126334150 1091930408 /nfs/dbraw/zinc/93/04/08/1091930408.db2.gz MIRKYNDJZWCFMY-UHFFFAOYSA-N 1 2 358.530 4.082 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000512506921 1092598883 /nfs/dbraw/zinc/59/88/83/1092598883.db2.gz RQWNHVNAINRPCF-QGZVFWFLSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000512506921 1092598894 /nfs/dbraw/zinc/59/88/94/1092598894.db2.gz RQWNHVNAINRPCF-QGZVFWFLSA-N 1 2 372.488 4.317 20 30 FIEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000549739487 1092736073 /nfs/dbraw/zinc/73/60/73/1092736073.db2.gz BYMNDKUROBTSGX-SJORKVTESA-N 1 2 369.509 4.364 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)[nH+]c12 ZINC000521726988 1092896865 /nfs/dbraw/zinc/89/68/65/1092896865.db2.gz QWIZTFHNJVMTEJ-CQSZACIVSA-N 1 2 364.474 4.076 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000614185399 1093096621 /nfs/dbraw/zinc/09/66/21/1093096621.db2.gz LPCPDGRAANTKBJ-INIZCTEOSA-N 1 2 360.461 4.312 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c(F)c1 ZINC000512806005 1093368002 /nfs/dbraw/zinc/36/80/02/1093368002.db2.gz OYQSSQKDUYDBHM-UHFFFAOYSA-N 1 2 357.454 4.075 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433199438 1093406048 /nfs/dbraw/zinc/40/60/48/1093406048.db2.gz LKQCVMQAHNLXPY-OAHLLOKOSA-N 1 2 359.470 4.291 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433199438 1093406054 /nfs/dbraw/zinc/40/60/54/1093406054.db2.gz LKQCVMQAHNLXPY-OAHLLOKOSA-N 1 2 359.470 4.291 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509839209 1093531812 /nfs/dbraw/zinc/53/18/12/1093531812.db2.gz NTKPDCFBJULDTC-ZDUSSCGKSA-N 1 2 367.287 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509839209 1093531817 /nfs/dbraw/zinc/53/18/17/1093531817.db2.gz NTKPDCFBJULDTC-ZDUSSCGKSA-N 1 2 367.287 4.004 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(F)c1F ZINC000430021045 1094190253 /nfs/dbraw/zinc/19/02/53/1094190253.db2.gz IPAWAKPSZDBWDI-UHFFFAOYSA-N 1 2 367.264 4.474 20 30 FIEDLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001268921461 1094787416 /nfs/dbraw/zinc/78/74/16/1094787416.db2.gz DLIJOEPGEZRFAC-IRXDYDNUSA-N 1 2 358.445 4.250 20 30 FIEDLO [O-]C(=[NH+]c1ncc(C2CCCCC2)s1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329460101 1094920294 /nfs/dbraw/zinc/92/02/94/1094920294.db2.gz PCKKAFLRPQCLHX-HNNXBMFYSA-N 1 2 359.499 4.097 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329460101 1094920298 /nfs/dbraw/zinc/92/02/98/1094920298.db2.gz PCKKAFLRPQCLHX-HNNXBMFYSA-N 1 2 359.499 4.097 20 30 FIEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329671009 1095091863 /nfs/dbraw/zinc/09/18/63/1095091863.db2.gz TXJGLSBOTYBEHB-MRXNPFEDSA-N 1 2 356.466 4.095 20 30 FIEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329671009 1095091877 /nfs/dbraw/zinc/09/18/77/1095091877.db2.gz TXJGLSBOTYBEHB-MRXNPFEDSA-N 1 2 356.466 4.095 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329990664 1095341229 /nfs/dbraw/zinc/34/12/29/1095341229.db2.gz WIGZSJSFPPXRRT-VUBSUSDNSA-N 1 2 370.472 4.155 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329990664 1095341250 /nfs/dbraw/zinc/34/12/50/1095341250.db2.gz WIGZSJSFPPXRRT-VUBSUSDNSA-N 1 2 370.472 4.155 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330099199 1095380391 /nfs/dbraw/zinc/38/03/91/1095380391.db2.gz CSXVEWPWXPYHLP-KGVIQGDOSA-N 1 2 374.525 4.365 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330099199 1095380411 /nfs/dbraw/zinc/38/04/11/1095380411.db2.gz CSXVEWPWXPYHLP-KGVIQGDOSA-N 1 2 374.525 4.365 20 30 FIEDLO CC(C)CCn1ncc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C(C)C ZINC000330126553 1095388097 /nfs/dbraw/zinc/38/80/97/1095388097.db2.gz CAXSBIGJPRDIIK-UHFFFAOYSA-N 1 2 372.517 4.201 20 30 FIEDLO CC(C)CCn1ncc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C(C)C ZINC000330126553 1095388122 /nfs/dbraw/zinc/38/81/22/1095388122.db2.gz CAXSBIGJPRDIIK-UHFFFAOYSA-N 1 2 372.517 4.201 20 30 FIEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000330220416 1095423583 /nfs/dbraw/zinc/42/35/83/1095423583.db2.gz QFSPXTCMRFDIMT-HZPDHXFCSA-N 1 2 368.472 4.212 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330250514 1095435987 /nfs/dbraw/zinc/43/59/87/1095435987.db2.gz GXPRQIITHZYOMF-CYBMUJFWSA-N 1 2 364.902 4.296 20 30 FIEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330263582 1095439456 /nfs/dbraw/zinc/43/94/56/1095439456.db2.gz WSMGAPPBOGCHMQ-CYBMUJFWSA-N 1 2 363.552 4.304 20 30 FIEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330263582 1095439463 /nfs/dbraw/zinc/43/94/63/1095439463.db2.gz WSMGAPPBOGCHMQ-CYBMUJFWSA-N 1 2 363.552 4.304 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000664333980 1096544606 /nfs/dbraw/zinc/54/46/06/1096544606.db2.gz UIMZNLKUSUOMEU-CVEARBPZSA-N 1 2 362.543 4.195 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000664333980 1096544615 /nfs/dbraw/zinc/54/46/15/1096544615.db2.gz UIMZNLKUSUOMEU-CVEARBPZSA-N 1 2 362.543 4.195 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000532976505 1098647775 /nfs/dbraw/zinc/64/77/75/1098647775.db2.gz FAMVCWBBDIFQEV-UHFFFAOYSA-N 1 2 371.843 4.169 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989259 1098658417 /nfs/dbraw/zinc/65/84/17/1098658417.db2.gz VFZWZMGQKPWLOL-FCHUYYIVSA-N 1 2 354.457 4.415 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989259 1098658423 /nfs/dbraw/zinc/65/84/23/1098658423.db2.gz VFZWZMGQKPWLOL-FCHUYYIVSA-N 1 2 354.457 4.415 20 30 FIEDLO COc1ccc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000533079644 1098747855 /nfs/dbraw/zinc/74/78/55/1098747855.db2.gz XDELTMPJMMQBRV-UHFFFAOYSA-N 1 2 355.865 4.244 20 30 FIEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436181410 1098805372 /nfs/dbraw/zinc/80/53/72/1098805372.db2.gz RXGJZXVQVOLPQY-OAQYLSRUSA-N 1 2 353.466 4.054 20 30 FIEDLO N#Cc1c(F)cccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436193871 1098821225 /nfs/dbraw/zinc/82/12/25/1098821225.db2.gz ZGEOYYIBHKWDKY-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000533289751 1098938485 /nfs/dbraw/zinc/93/84/85/1098938485.db2.gz VYFRRZDWRXYSJR-INIZCTEOSA-N 1 2 357.479 4.331 20 30 FIEDLO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000533289751 1098938488 /nfs/dbraw/zinc/93/84/88/1098938488.db2.gz VYFRRZDWRXYSJR-INIZCTEOSA-N 1 2 357.479 4.331 20 30 FIEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390496 1099019397 /nfs/dbraw/zinc/01/93/97/1099019397.db2.gz NBKPGSZOPXBONR-QHCPKHFHSA-N 1 2 369.468 4.106 20 30 FIEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390496 1099019411 /nfs/dbraw/zinc/01/94/11/1099019411.db2.gz NBKPGSZOPXBONR-QHCPKHFHSA-N 1 2 369.468 4.106 20 30 FIEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455476994 1099248639 /nfs/dbraw/zinc/24/86/39/1099248639.db2.gz MACCOMJOZQIQLK-UHFFFAOYSA-N 1 2 354.410 4.135 20 30 FIEDLO CC(C)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1[N+](=O)[O-] ZINC000162255324 1099659215 /nfs/dbraw/zinc/65/92/15/1099659215.db2.gz PTOZVCJLLYCGPU-UHFFFAOYSA-N 1 2 354.410 4.408 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506121953 1100164650 /nfs/dbraw/zinc/16/46/50/1100164650.db2.gz JYLSIXHMWYCYGJ-HSZRJFAPSA-N 1 2 369.468 4.048 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506121953 1100164665 /nfs/dbraw/zinc/16/46/65/1100164665.db2.gz JYLSIXHMWYCYGJ-HSZRJFAPSA-N 1 2 369.468 4.048 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1OC ZINC000506370231 1100933177 /nfs/dbraw/zinc/93/31/77/1100933177.db2.gz NUINHWONXJATMS-QFIPXVFZSA-N 1 2 353.462 4.224 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)ccc1OC ZINC000506370231 1100933178 /nfs/dbraw/zinc/93/31/78/1100933178.db2.gz NUINHWONXJATMS-QFIPXVFZSA-N 1 2 353.462 4.224 20 30 FIEDLO Cc1cc(Br)cn2c(/C=C3/Cc4ccccc4C3=O)c[nH+]c12 ZINC000783698182 1101403039 /nfs/dbraw/zinc/40/30/39/1101403039.db2.gz WNXUKBFAFFSNOT-JYRVWZFOSA-N 1 2 353.219 4.228 20 30 FIEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl ZINC000537177829 1101521063 /nfs/dbraw/zinc/52/10/63/1101521063.db2.gz YCJYHZVBPPWXEB-JTQLQIEISA-N 1 2 366.223 4.293 20 30 FIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H](C#N)CCC#N ZINC000024591333 1101861806 /nfs/dbraw/zinc/86/18/06/1101861806.db2.gz QOMDVEHIDQVWHS-LJQANCHMSA-N 1 2 369.472 4.415 20 30 FIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H](C#N)CCC#N ZINC000024591333 1101861828 /nfs/dbraw/zinc/86/18/28/1101861828.db2.gz QOMDVEHIDQVWHS-LJQANCHMSA-N 1 2 369.472 4.415 20 30 FIEDLO Cc1cccn2c(/C=C3\Cc4cc(Br)ccc4C3=O)c[nH+]c12 ZINC000760229012 1101881601 /nfs/dbraw/zinc/88/16/01/1101881601.db2.gz FQHQENDLQHKORL-UKTHLTGXSA-N 1 2 353.219 4.228 20 30 FIEDLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001142538072 1102176782 /nfs/dbraw/zinc/17/67/82/1102176782.db2.gz BAZVXEHWASRIND-NSHDSACASA-N 1 2 364.692 4.478 20 30 FIEDLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001142538072 1102176784 /nfs/dbraw/zinc/17/67/84/1102176784.db2.gz BAZVXEHWASRIND-NSHDSACASA-N 1 2 364.692 4.478 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000532486451 1102426887 /nfs/dbraw/zinc/42/68/87/1102426887.db2.gz CUSBXWQGOYLMGK-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000532486451 1102426891 /nfs/dbraw/zinc/42/68/91/1102426891.db2.gz CUSBXWQGOYLMGK-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760537150 1102968103 /nfs/dbraw/zinc/96/81/03/1102968103.db2.gz BVNQISVLRHMOSY-UHFFFAOYSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760537150 1102968107 /nfs/dbraw/zinc/96/81/07/1102968107.db2.gz BVNQISVLRHMOSY-UHFFFAOYSA-N 1 2 356.539 4.270 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000237504160 1103096587 /nfs/dbraw/zinc/09/65/87/1103096587.db2.gz BLSBALBRCIUUTP-UONOGXRCSA-N 1 2 366.396 4.017 20 30 FIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729472332 1103238415 /nfs/dbraw/zinc/23/84/15/1103238415.db2.gz KESBKJNDCIXTCI-SFHVURJKSA-N 1 2 360.502 4.102 20 30 FIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000729472332 1103238432 /nfs/dbraw/zinc/23/84/32/1103238432.db2.gz KESBKJNDCIXTCI-SFHVURJKSA-N 1 2 360.502 4.102 20 30 FIEDLO Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c[nH+]cn4c3)n2)cc1 ZINC000551509969 1103298049 /nfs/dbraw/zinc/29/80/49/1103298049.db2.gz MHSWEVASRHKDSG-KRWDZBQOSA-N 1 2 358.426 4.256 20 30 FIEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477321482 1103352728 /nfs/dbraw/zinc/35/27/28/1103352728.db2.gz SUHXTYKGMVZPHO-QGZVFWFLSA-N 1 2 367.896 4.051 20 30 FIEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477321482 1103352744 /nfs/dbraw/zinc/35/27/44/1103352744.db2.gz SUHXTYKGMVZPHO-QGZVFWFLSA-N 1 2 367.896 4.051 20 30 FIEDLO CC1(C#N)CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000440497624 1103353041 /nfs/dbraw/zinc/35/30/41/1103353041.db2.gz VYARASSNOQGANA-UHFFFAOYSA-N 1 2 359.473 4.076 20 30 FIEDLO C=CCOc1cccnc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000538195756 1104031951 /nfs/dbraw/zinc/03/19/51/1104031951.db2.gz YUBFVRFFWIXHEB-UHFFFAOYSA-N 1 2 374.444 4.099 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](CCC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000520135553 1104114161 /nfs/dbraw/zinc/11/41/61/1104114161.db2.gz VVPUOSFXVLHWCU-QFIPXVFZSA-N 1 2 361.489 4.204 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](CCC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000520135553 1104114166 /nfs/dbraw/zinc/11/41/66/1104114166.db2.gz VVPUOSFXVLHWCU-QFIPXVFZSA-N 1 2 361.489 4.204 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000538305402 1104126130 /nfs/dbraw/zinc/12/61/30/1104126130.db2.gz SMVFXBFKTABELQ-JTQLQIEISA-N 1 2 359.214 4.175 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000538305402 1104126137 /nfs/dbraw/zinc/12/61/37/1104126137.db2.gz SMVFXBFKTABELQ-JTQLQIEISA-N 1 2 359.214 4.175 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943390 1104595976 /nfs/dbraw/zinc/59/59/76/1104595976.db2.gz AKNWLIWTONRICA-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943390 1104595982 /nfs/dbraw/zinc/59/59/82/1104595982.db2.gz AKNWLIWTONRICA-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO C=CCC(CC=C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665003731 1104651762 /nfs/dbraw/zinc/65/17/62/1104651762.db2.gz ACRWAOJJWZNDMO-VQIMIIECSA-N 1 2 353.466 4.267 20 30 FIEDLO C=CCC(CC=C)c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665003731 1104651765 /nfs/dbraw/zinc/65/17/65/1104651765.db2.gz ACRWAOJJWZNDMO-VQIMIIECSA-N 1 2 353.466 4.267 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000441490464 1104911665 /nfs/dbraw/zinc/91/16/65/1104911665.db2.gz WHPLORLWJHKTQX-NRFANRHFSA-N 1 2 373.422 4.244 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000665626172 1106880396 /nfs/dbraw/zinc/88/03/96/1106880396.db2.gz RPJDJRCVAPOEIW-GBESFXJTSA-N 1 2 371.525 4.116 20 30 FIEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000530287815 1106951889 /nfs/dbraw/zinc/95/18/89/1106951889.db2.gz CVWUXKQQOBZKKO-QGZVFWFLSA-N 1 2 365.399 4.195 20 30 FIEDLO C=CCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000451291991 1107010905 /nfs/dbraw/zinc/01/09/05/1107010905.db2.gz RZRBZUZZWJSXLH-UHFFFAOYSA-N 1 2 355.526 4.452 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1ccc(OC)cc1 ZINC000054272067 1107199887 /nfs/dbraw/zinc/19/98/87/1107199887.db2.gz FKGFMZAKTZBNGX-UHFFFAOYSA-N 1 2 366.505 4.447 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)Cc1ccc(OC)cc1 ZINC000054272067 1107199898 /nfs/dbraw/zinc/19/98/98/1107199898.db2.gz FKGFMZAKTZBNGX-UHFFFAOYSA-N 1 2 366.505 4.447 20 30 FIEDLO N#Cc1ccc(SCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000545692672 1107504165 /nfs/dbraw/zinc/50/41/65/1107504165.db2.gz SPVIAVOYXYSSFF-UHFFFAOYSA-N 1 2 359.414 4.086 20 30 FIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000531205096 1107645499 /nfs/dbraw/zinc/64/54/99/1107645499.db2.gz WMMHCOILIBZIJL-GJZGRUSLSA-N 1 2 373.859 4.465 20 30 FIEDLO Cc1cn2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2[nH+]1 ZINC000523393408 1108156928 /nfs/dbraw/zinc/15/69/28/1108156928.db2.gz WBVWLHWJOQZPBL-UHFFFAOYSA-N 1 2 352.397 4.434 20 30 FIEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769254 1108164972 /nfs/dbraw/zinc/16/49/72/1108164972.db2.gz WSTMPCSKFSPIRJ-AWEZNQCLSA-N 1 2 370.840 4.003 20 30 FIEDLO C[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000532345510 1108773168 /nfs/dbraw/zinc/77/31/68/1108773168.db2.gz TYWPOOFTBPVUHJ-AUSIDOKSSA-N 1 2 369.468 4.006 20 30 FIEDLO CCC(CC)CN(CCC#N)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524434050 1109009133 /nfs/dbraw/zinc/00/91/33/1109009133.db2.gz KAIBNUFCHBRUTK-UHFFFAOYSA-N 1 2 372.538 4.054 20 30 FIEDLO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524991418 1109230706 /nfs/dbraw/zinc/23/07/06/1109230706.db2.gz WUKOFSDNSJNKDK-GOSISDBHSA-N 1 2 372.472 4.092 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529559011 1110286883 /nfs/dbraw/zinc/28/68/83/1110286883.db2.gz WINZGMZWNBLNQL-UHFFFAOYSA-N 1 2 351.397 4.219 20 30 FIEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1OC(F)F ZINC000539253763 1111487515 /nfs/dbraw/zinc/48/75/15/1111487515.db2.gz XDWMAPNILVUESZ-KRWDZBQOSA-N 1 2 374.387 4.187 20 30 FIEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1F ZINC000539325468 1111522408 /nfs/dbraw/zinc/52/24/08/1111522408.db2.gz NIALYROKOUEABC-IBGZPJMESA-N 1 2 368.387 4.373 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1C(F)(F)F ZINC000539342856 1111525635 /nfs/dbraw/zinc/52/56/35/1111525635.db2.gz KXEFRPRIGYQODA-GFCCVEGCSA-N 1 2 372.350 4.478 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2ccccc2)nc1 ZINC000552172391 1111603935 /nfs/dbraw/zinc/60/39/35/1111603935.db2.gz NVBVSJUDAIYURT-UHFFFAOYSA-N 1 2 361.493 4.499 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2ccccc2)nc1 ZINC000552172391 1111603941 /nfs/dbraw/zinc/60/39/41/1111603941.db2.gz NVBVSJUDAIYURT-UHFFFAOYSA-N 1 2 361.493 4.499 20 30 FIEDLO Cn1ccc([C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1 ZINC000553002654 1111879224 /nfs/dbraw/zinc/87/92/24/1111879224.db2.gz BZRDJYHILDIBDG-RBBKRZOGSA-N 1 2 360.436 4.187 20 30 FIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1cccc(OC)c1 ZINC000478855577 1111900983 /nfs/dbraw/zinc/90/09/83/1111900983.db2.gz KPORRSYZRCGBFU-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1 ZINC000192912744 1113167424 /nfs/dbraw/zinc/16/74/24/1113167424.db2.gz IXOCSVCTYULBNS-UHFFFAOYSA-N 1 2 374.238 4.280 20 30 FIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1 ZINC000192912744 1113167426 /nfs/dbraw/zinc/16/74/26/1113167426.db2.gz IXOCSVCTYULBNS-UHFFFAOYSA-N 1 2 374.238 4.280 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)cc1 ZINC000486047679 1113492304 /nfs/dbraw/zinc/49/23/04/1113492304.db2.gz WTGLWOCEUJTOQI-UHFFFAOYSA-N 1 2 372.428 4.093 20 30 FIEDLO CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000486687064 1113623826 /nfs/dbraw/zinc/62/38/26/1113623826.db2.gz CBOJXNYEXIBKQX-OAHLLOKOSA-N 1 2 364.424 4.254 20 30 FIEDLO CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000486687064 1113623830 /nfs/dbraw/zinc/62/38/30/1113623830.db2.gz CBOJXNYEXIBKQX-OAHLLOKOSA-N 1 2 364.424 4.254 20 30 FIEDLO Cc1ccc2ncc(C#N)c(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000488132872 1113860435 /nfs/dbraw/zinc/86/04/35/1113860435.db2.gz XXJHCJJZJJLMPD-UHFFFAOYSA-N 1 2 359.477 4.308 20 30 FIEDLO C=CC[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000488318276 1113907109 /nfs/dbraw/zinc/90/71/09/1113907109.db2.gz XGTSNSMDKOQQEI-GCJKJVERSA-N 1 2 364.489 4.378 20 30 FIEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)c1 ZINC000489135974 1114057316 /nfs/dbraw/zinc/05/73/16/1114057316.db2.gz WUQVMVFXZYTKPY-GOSISDBHSA-N 1 2 373.287 4.070 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000489502260 1114119935 /nfs/dbraw/zinc/11/99/35/1114119935.db2.gz YHVMTNFGIFTMHB-QGZVFWFLSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000489502260 1114119938 /nfs/dbraw/zinc/11/99/38/1114119938.db2.gz YHVMTNFGIFTMHB-QGZVFWFLSA-N 1 2 355.507 4.173 20 30 FIEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000489626752 1114146583 /nfs/dbraw/zinc/14/65/83/1114146583.db2.gz YFACZYMTSDFKHF-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000489626752 1114146585 /nfs/dbraw/zinc/14/65/85/1114146585.db2.gz YFACZYMTSDFKHF-ROUUACIJSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000489626754 1114146781 /nfs/dbraw/zinc/14/67/81/1114146781.db2.gz YFACZYMTSDFKHF-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000489626754 1114146783 /nfs/dbraw/zinc/14/67/83/1114146783.db2.gz YFACZYMTSDFKHF-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000489626750 1114146824 /nfs/dbraw/zinc/14/68/24/1114146824.db2.gz YFACZYMTSDFKHF-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000489626750 1114146825 /nfs/dbraw/zinc/14/68/25/1114146825.db2.gz YFACZYMTSDFKHF-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029630996 1114339679 /nfs/dbraw/zinc/33/96/79/1114339679.db2.gz QTHJKFJEXGHWAL-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000588212027 1114555784 /nfs/dbraw/zinc/55/57/84/1114555784.db2.gz ULZAHNSHTJWGNZ-HNNXBMFYSA-N 1 2 364.371 4.082 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000588212027 1114555788 /nfs/dbraw/zinc/55/57/88/1114555788.db2.gz ULZAHNSHTJWGNZ-HNNXBMFYSA-N 1 2 364.371 4.082 20 30 FIEDLO N#CCCCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000588759966 1114618181 /nfs/dbraw/zinc/61/81/81/1114618181.db2.gz GDUYNBGEHZUCSL-UHFFFAOYSA-N 1 2 358.873 4.039 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1C#N ZINC000591475758 1115089383 /nfs/dbraw/zinc/08/93/83/1115089383.db2.gz UKCLJCWLTAMQIG-OAHLLOKOSA-N 1 2 362.399 4.217 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1C#N ZINC000591475758 1115089384 /nfs/dbraw/zinc/08/93/84/1115089384.db2.gz UKCLJCWLTAMQIG-OAHLLOKOSA-N 1 2 362.399 4.217 20 30 FIEDLO COCC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397811 1115215442 /nfs/dbraw/zinc/21/54/42/1115215442.db2.gz KLFKUUMRQXJHMO-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO COCC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)Cc1ccc(C#N)cc1 ZINC000058397811 1115215444 /nfs/dbraw/zinc/21/54/44/1115215444.db2.gz KLFKUUMRQXJHMO-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518205 1115418127 /nfs/dbraw/zinc/41/81/27/1115418127.db2.gz QFRGWAHGZQCMMC-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518205 1115418129 /nfs/dbraw/zinc/41/81/29/1115418129.db2.gz QFRGWAHGZQCMMC-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO COc1cc(Br)c(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000594994792 1115506214 /nfs/dbraw/zinc/50/62/14/1115506214.db2.gz LTFMGNQWXOIBPO-UHFFFAOYSA-N 1 2 367.287 4.030 20 30 FIEDLO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC000595617541 1115551249 /nfs/dbraw/zinc/55/12/49/1115551249.db2.gz WTCPFAZKCOTXTI-KRWDZBQOSA-N 1 2 374.488 4.379 20 30 FIEDLO CCn1c2ccccc2c2cc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC000595617541 1115551252 /nfs/dbraw/zinc/55/12/52/1115551252.db2.gz WTCPFAZKCOTXTI-KRWDZBQOSA-N 1 2 374.488 4.379 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595615774 1115554298 /nfs/dbraw/zinc/55/42/98/1115554298.db2.gz NSONNCYTPKHHCO-HZPDHXFCSA-N 1 2 368.506 4.071 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595615774 1115554301 /nfs/dbraw/zinc/55/43/01/1115554301.db2.gz NSONNCYTPKHHCO-HZPDHXFCSA-N 1 2 368.506 4.071 20 30 FIEDLO CC(C)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000595659250 1115555225 /nfs/dbraw/zinc/55/52/25/1115555225.db2.gz YWERMNGIBUDAQR-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO CC(C)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000595659250 1115555227 /nfs/dbraw/zinc/55/52/27/1115555227.db2.gz YWERMNGIBUDAQR-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679409 1115837473 /nfs/dbraw/zinc/83/74/73/1115837473.db2.gz RKNOKMHZKMPLSC-MRXNPFEDSA-N 1 2 358.445 4.230 20 30 FIEDLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679409 1115837476 /nfs/dbraw/zinc/83/74/76/1115837476.db2.gz RKNOKMHZKMPLSC-MRXNPFEDSA-N 1 2 358.445 4.230 20 30 FIEDLO N#Cc1c(NC(=O)CCCn2cc[nH+]c2)sc2c1-c1ccccc1CC2 ZINC000604527908 1115869244 /nfs/dbraw/zinc/86/92/44/1115869244.db2.gz QSNRUOAANQDNKG-UHFFFAOYSA-N 1 2 362.458 4.001 20 30 FIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606780664 1115967281 /nfs/dbraw/zinc/96/72/81/1115967281.db2.gz BPMASSSNNWNNEC-UHFFFAOYSA-N 1 2 361.323 4.170 20 30 FIEDLO COc1cc(C)[nH+]c(CSc2nc(C)cc(C(F)(F)F)c2C#N)c1 ZINC000534519335 1116208991 /nfs/dbraw/zinc/20/89/91/1116208991.db2.gz KYTGRKAECQCPJY-UHFFFAOYSA-N 1 2 353.369 4.285 20 30 FIEDLO C=C[C@H](CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000534678134 1116226356 /nfs/dbraw/zinc/22/63/56/1116226356.db2.gz LYLFNQIFBADZCR-RTBURBONSA-N 1 2 364.489 4.378 20 30 FIEDLO Fc1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000535072846 1116267438 /nfs/dbraw/zinc/26/74/38/1116267438.db2.gz HUEUQJYZPZJENZ-CYBMUJFWSA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000535072846 1116267440 /nfs/dbraw/zinc/26/74/40/1116267440.db2.gz HUEUQJYZPZJENZ-CYBMUJFWSA-N 1 2 359.285 4.388 20 30 FIEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1C#N ZINC000535212193 1116283782 /nfs/dbraw/zinc/28/37/82/1116283782.db2.gz OPWWBXZCAHKITI-AWEZNQCLSA-N 1 2 371.506 4.426 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1C#N ZINC000535212193 1116283784 /nfs/dbraw/zinc/28/37/84/1116283784.db2.gz OPWWBXZCAHKITI-AWEZNQCLSA-N 1 2 371.506 4.426 20 30 FIEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)C1=O ZINC000539709865 1116368897 /nfs/dbraw/zinc/36/88/97/1116368897.db2.gz AKBBIFQSARDAJZ-WOJBJXKFSA-N 1 2 372.871 4.253 20 30 FIEDLO N#Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C(F)(F)F)c1 ZINC000462825788 1117798766 /nfs/dbraw/zinc/79/87/66/1117798766.db2.gz LNLXNBBXVJZBNJ-UHFFFAOYSA-N 1 2 358.363 4.330 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C(F)(F)F)c1 ZINC000462825788 1117798770 /nfs/dbraw/zinc/79/87/70/1117798770.db2.gz LNLXNBBXVJZBNJ-UHFFFAOYSA-N 1 2 358.363 4.330 20 30 FIEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000463067215 1117953937 /nfs/dbraw/zinc/95/39/37/1117953937.db2.gz BIFHDLBPSHMREF-INIZCTEOSA-N 1 2 354.885 4.107 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000540455605 1118074308 /nfs/dbraw/zinc/07/43/08/1118074308.db2.gz MHBAXKCABSGDQO-CQSZACIVSA-N 1 2 374.481 4.402 20 30 FIEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000540597846 1118141032 /nfs/dbraw/zinc/14/10/32/1118141032.db2.gz VAVNBLRCQVQGDZ-KUHUBIRLSA-N 1 2 350.853 4.385 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)cc1F ZINC000541687103 1118606044 /nfs/dbraw/zinc/60/60/44/1118606044.db2.gz QQRNLGZGNYFJGE-AWEZNQCLSA-N 1 2 353.372 4.026 20 30 FIEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)s1 ZINC000464881715 1118731153 /nfs/dbraw/zinc/73/11/53/1118731153.db2.gz VEFUFQGNZKQYAS-ZWKOTPCHSA-N 1 2 354.475 4.115 20 30 FIEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)s1 ZINC000464881715 1118731159 /nfs/dbraw/zinc/73/11/59/1118731159.db2.gz VEFUFQGNZKQYAS-ZWKOTPCHSA-N 1 2 354.475 4.115 20 30 FIEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464883650 1118732630 /nfs/dbraw/zinc/73/26/30/1118732630.db2.gz DIGJVLBHBVNBQE-KRWDZBQOSA-N 1 2 369.484 4.036 20 30 FIEDLO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000271719610 1118756157 /nfs/dbraw/zinc/75/61/57/1118756157.db2.gz XNBOEZNFNJAANU-RYUDHWBXSA-N 1 2 351.479 4.174 20 30 FIEDLO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000271719613 1118757599 /nfs/dbraw/zinc/75/75/99/1118757599.db2.gz XNBOEZNFNJAANU-VXGBXAGGSA-N 1 2 351.479 4.174 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000303436692 1118937806 /nfs/dbraw/zinc/93/78/06/1118937806.db2.gz GKVHBNYLGPOLAV-UHFFFAOYSA-N 1 2 352.482 4.150 20 30 FIEDLO Cc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000443959818 1119124051 /nfs/dbraw/zinc/12/40/51/1119124051.db2.gz CDKPQVPLNMECRB-IBGZPJMESA-N 1 2 350.853 4.133 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cc1C ZINC000492608018 1119139339 /nfs/dbraw/zinc/13/93/39/1119139339.db2.gz OMRBJDKOHKMHGA-UHFFFAOYSA-N 1 2 359.267 4.270 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cc1C ZINC000492608018 1119139342 /nfs/dbraw/zinc/13/93/42/1119139342.db2.gz OMRBJDKOHKMHGA-UHFFFAOYSA-N 1 2 359.267 4.270 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790169 1119189267 /nfs/dbraw/zinc/18/92/67/1119189267.db2.gz OYDVUMICRNTTAP-MOPGFXCFSA-N 1 2 365.433 4.265 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790169 1119189269 /nfs/dbraw/zinc/18/92/69/1119189269.db2.gz OYDVUMICRNTTAP-MOPGFXCFSA-N 1 2 365.433 4.265 20 30 FIEDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000184973597 1119632769 /nfs/dbraw/zinc/63/27/69/1119632769.db2.gz JEENUCIZHBXBOM-GOSISDBHSA-N 1 2 369.534 4.309 20 30 FIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccccc1OC ZINC000187331447 1119778069 /nfs/dbraw/zinc/77/80/69/1119778069.db2.gz LPNIHTJKPUKQPO-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000761759333 1120349225 /nfs/dbraw/zinc/34/92/25/1120349225.db2.gz CSAOJJOPZLWVRD-HSZRJFAPSA-N 1 2 358.441 4.164 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3cccc4ccccc43)CCO2)c1 ZINC000761759333 1120349232 /nfs/dbraw/zinc/34/92/32/1120349232.db2.gz CSAOJJOPZLWVRD-HSZRJFAPSA-N 1 2 358.441 4.164 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Br)nc1Br)C(C)(C)C ZINC001142755917 1121323496 /nfs/dbraw/zinc/32/34/96/1121323496.db2.gz RKPPANCGCSVMCT-UHFFFAOYSA-N 1 2 362.109 4.393 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Br)nc1Br)C(C)(C)C ZINC001142755917 1121323503 /nfs/dbraw/zinc/32/35/03/1121323503.db2.gz RKPPANCGCSVMCT-UHFFFAOYSA-N 1 2 362.109 4.393 20 30 FIEDLO Clc1ccccc1N[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000916262175 1121458268 /nfs/dbraw/zinc/45/82/68/1121458268.db2.gz ALAGRQBWIBIHRR-UHFFFAOYSA-N 1 2 366.852 4.171 20 30 FIEDLO Clc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000916338211 1121476457 /nfs/dbraw/zinc/47/64/57/1121476457.db2.gz JWWYTGZJCDGNOY-UHFFFAOYSA-N 1 2 350.249 4.276 20 30 FIEDLO C[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040795 1122012350 /nfs/dbraw/zinc/01/23/50/1122012350.db2.gz VGQUOZZLHGSOJH-YOEHRIQHSA-N 1 2 361.470 4.092 20 30 FIEDLO C[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040795 1122012353 /nfs/dbraw/zinc/01/23/53/1122012353.db2.gz VGQUOZZLHGSOJH-YOEHRIQHSA-N 1 2 361.470 4.092 20 30 FIEDLO C=C(Br)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000918715459 1122759440 /nfs/dbraw/zinc/75/94/40/1122759440.db2.gz JTZREBVWEKHCGF-GFCCVEGCSA-N 1 2 361.353 4.092 20 30 FIEDLO COc1ccc(-c2cnc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)o2)cc1 ZINC000194956906 1123054024 /nfs/dbraw/zinc/05/40/24/1123054024.db2.gz RJKPLQLDSUDZEO-UHFFFAOYSA-N 1 2 359.429 4.386 20 30 FIEDLO COc1ccc(-c2cnc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)o2)cc1 ZINC000194956906 1123054029 /nfs/dbraw/zinc/05/40/29/1123054029.db2.gz RJKPLQLDSUDZEO-UHFFFAOYSA-N 1 2 359.429 4.386 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1 ZINC000194964546 1123054563 /nfs/dbraw/zinc/05/45/63/1123054563.db2.gz OOZARYBQZCPXML-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1 ZINC000194964546 1123054570 /nfs/dbraw/zinc/05/45/70/1123054570.db2.gz OOZARYBQZCPXML-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000499048021 1123158833 /nfs/dbraw/zinc/15/88/33/1123158833.db2.gz KTGVVRLMJHCZSV-UHFFFAOYSA-N 1 2 354.397 4.394 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000499048021 1123158836 /nfs/dbraw/zinc/15/88/36/1123158836.db2.gz KTGVVRLMJHCZSV-UHFFFAOYSA-N 1 2 354.397 4.394 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000499048443 1123158970 /nfs/dbraw/zinc/15/89/70/1123158970.db2.gz PMUQYVQAJZEKLN-CYBMUJFWSA-N 1 2 366.433 4.365 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000499048443 1123158972 /nfs/dbraw/zinc/15/89/72/1123158972.db2.gz PMUQYVQAJZEKLN-CYBMUJFWSA-N 1 2 366.433 4.365 20 30 FIEDLO N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4[nH+]ccn4c3)cc2)cc1 ZINC000609623011 1123772938 /nfs/dbraw/zinc/77/29/38/1123772938.db2.gz DMQDDSCBILMLMP-UHFFFAOYSA-N 1 2 368.396 4.445 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H](c2ccco2)C1 ZINC000245446702 1124034966 /nfs/dbraw/zinc/03/49/66/1124034966.db2.gz LJSPIEGBKWNIGO-NVXWUHKLSA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H](c2ccco2)C1 ZINC000245446702 1124034970 /nfs/dbraw/zinc/03/49/70/1124034970.db2.gz LJSPIEGBKWNIGO-NVXWUHKLSA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245536556 1124111931 /nfs/dbraw/zinc/11/19/31/1124111931.db2.gz LJZPHAVPLCDSEW-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245536556 1124111940 /nfs/dbraw/zinc/11/19/40/1124111940.db2.gz LJZPHAVPLCDSEW-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO CC(=O)c1ccc(C#N)c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000302112413 1124284690 /nfs/dbraw/zinc/28/46/90/1124284690.db2.gz QATZFOZIPODWJU-UHFFFAOYSA-N 1 2 369.415 4.116 20 30 FIEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000302713516 1124341609 /nfs/dbraw/zinc/34/16/09/1124341609.db2.gz ZYFUTQKOJMKVMA-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140202360 1124588446 /nfs/dbraw/zinc/58/84/46/1124588446.db2.gz GPRJCVPHJKWHLG-LJQANCHMSA-N 1 2 367.518 4.444 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140202360 1124588453 /nfs/dbraw/zinc/58/84/53/1124588453.db2.gz GPRJCVPHJKWHLG-LJQANCHMSA-N 1 2 367.518 4.444 20 30 FIEDLO CC(C)c1csc(C[NH2+]Cc2cc(C#N)ccc2Br)n1 ZINC000921853649 1124853675 /nfs/dbraw/zinc/85/36/75/1124853675.db2.gz INGOYPLPANZWEW-UHFFFAOYSA-N 1 2 350.285 4.190 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000481399693 567889209 /nfs/dbraw/zinc/88/92/09/567889209.db2.gz GLTHOSBXRNBPGX-QFIPXVFZSA-N 1 2 370.431 4.463 20 30 FIEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1(C)Cc2ccccc2C1 ZINC000330274881 568076277 /nfs/dbraw/zinc/07/62/77/568076277.db2.gz KTFJNTHSHLHMLZ-LJQANCHMSA-N 1 2 366.509 4.149 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000603500865 568112808 /nfs/dbraw/zinc/11/28/08/568112808.db2.gz QADOBZXJEJUPIS-HNNXBMFYSA-N 1 2 368.868 4.122 20 30 FIEDLO CN(C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1)C1(C#N)CCCCC1 ZINC000603854828 568167683 /nfs/dbraw/zinc/16/76/83/568167683.db2.gz WKJJJMSUZHNZRB-UHFFFAOYSA-N 1 2 368.308 4.110 20 30 FIEDLO CN(C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1)C1(C#N)CCCCC1 ZINC000603854828 568167684 /nfs/dbraw/zinc/16/76/84/568167684.db2.gz WKJJJMSUZHNZRB-UHFFFAOYSA-N 1 2 368.308 4.110 20 30 FIEDLO CCCCn1c(S[C@H](C#N)Cc2ccccc2)nnc1[C@H](CC)[NH+](C)C ZINC000604056234 568207387 /nfs/dbraw/zinc/20/73/87/568207387.db2.gz VJUVBZGGODEQRW-ROUUACIJSA-N 1 2 371.554 4.318 20 30 FIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605079756 568560553 /nfs/dbraw/zinc/56/05/53/568560553.db2.gz HVYWFVOLVGTKMG-UHFFFAOYSA-N 1 2 357.866 4.416 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748081543 1080114689 /nfs/dbraw/zinc/11/46/89/1080114689.db2.gz AKVFEEYYFBRFPR-MRXNPFEDSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748081543 1080114694 /nfs/dbraw/zinc/11/46/94/1080114694.db2.gz AKVFEEYYFBRFPR-MRXNPFEDSA-N 1 2 372.538 4.355 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000179427015 1080174588 /nfs/dbraw/zinc/17/45/88/1080174588.db2.gz KEKPDDCPWFACDX-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000179427015 1080174591 /nfs/dbraw/zinc/17/45/91/1080174591.db2.gz KEKPDDCPWFACDX-OAQYLSRUSA-N 1 2 354.425 4.082 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c(C#N)c1C ZINC000177204640 1081196738 /nfs/dbraw/zinc/19/67/38/1081196738.db2.gz WZOHLQYOMJFPOT-INIZCTEOSA-N 1 2 357.479 4.385 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)c(C#N)c1C ZINC000177204640 1081196740 /nfs/dbraw/zinc/19/67/40/1081196740.db2.gz WZOHLQYOMJFPOT-INIZCTEOSA-N 1 2 357.479 4.385 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000177244870 1081199490 /nfs/dbraw/zinc/19/94/90/1081199490.db2.gz BBPRUKIKQZYGFZ-NSHDSACASA-N 1 2 363.433 4.146 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000177244870 1081199493 /nfs/dbraw/zinc/19/94/93/1081199493.db2.gz BBPRUKIKQZYGFZ-NSHDSACASA-N 1 2 363.433 4.146 20 30 FIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023667436 1081263650 /nfs/dbraw/zinc/26/36/50/1081263650.db2.gz ZKSXJRSRUCCRPI-NSHDSACASA-N 1 2 363.795 4.121 20 30 FIEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023667436 1081263654 /nfs/dbraw/zinc/26/36/54/1081263654.db2.gz ZKSXJRSRUCCRPI-NSHDSACASA-N 1 2 363.795 4.121 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000471586059 1081989412 /nfs/dbraw/zinc/98/94/12/1081989412.db2.gz NUNWECSQEFXYCL-UHFFFAOYSA-N 1 2 374.488 4.219 20 30 FIEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1cccc(Br)c1 ZINC000093100684 1082444590 /nfs/dbraw/zinc/44/45/90/1082444590.db2.gz JSFCAWDBZVHAKQ-HNNXBMFYSA-N 1 2 358.283 4.363 20 30 FIEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1cccc(Br)c1 ZINC000093100684 1082444596 /nfs/dbraw/zinc/44/45/96/1082444596.db2.gz JSFCAWDBZVHAKQ-HNNXBMFYSA-N 1 2 358.283 4.363 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116530 1084052200 /nfs/dbraw/zinc/05/22/00/1084052200.db2.gz GEWJVJDSDOGNBE-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116530 1084052204 /nfs/dbraw/zinc/05/22/04/1084052204.db2.gz GEWJVJDSDOGNBE-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO N#Cc1ccc(Cl)c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000376071112 1084071381 /nfs/dbraw/zinc/07/13/81/1084071381.db2.gz WBTXSYOWPQXFMB-UHFFFAOYSA-N 1 2 374.831 4.379 20 30 FIEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(OCC)cc2)nn1 ZINC000657318383 1084534795 /nfs/dbraw/zinc/53/47/95/1084534795.db2.gz OIZGNWCSQFKORH-QFIPXVFZSA-N 1 2 362.477 4.132 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000173484351 1084637686 /nfs/dbraw/zinc/63/76/86/1084637686.db2.gz PKFMZNXEVALMMU-KRWDZBQOSA-N 1 2 369.490 4.451 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000173484351 1084637695 /nfs/dbraw/zinc/63/76/95/1084637695.db2.gz PKFMZNXEVALMMU-KRWDZBQOSA-N 1 2 369.490 4.451 20 30 FIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C(C)=O)ccc1OCC ZINC000559568794 1084718730 /nfs/dbraw/zinc/71/87/30/1084718730.db2.gz JBJPRIXZSPZOIE-UHFFFAOYSA-N 1 2 353.462 4.485 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C(C)=O)ccc1OCC ZINC000559568794 1084718741 /nfs/dbraw/zinc/71/87/41/1084718741.db2.gz JBJPRIXZSPZOIE-UHFFFAOYSA-N 1 2 353.462 4.485 20 30 FIEDLO CON=Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000255891204 1084864256 /nfs/dbraw/zinc/86/42/56/1084864256.db2.gz DJXCWGRXEJJCHT-UHFFFAOYSA-N 1 2 374.444 4.119 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC12CCCCC2 ZINC000329065818 1085084662 /nfs/dbraw/zinc/08/46/62/1085084662.db2.gz WIYPPTIASQAXAU-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC12CCCCC2 ZINC000329065818 1085084670 /nfs/dbraw/zinc/08/46/70/1085084670.db2.gz WIYPPTIASQAXAU-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC(C)(C)C#N)n1 ZINC000611618115 1085119161 /nfs/dbraw/zinc/11/91/61/1085119161.db2.gz RORFBOYVOPQUET-UHFFFAOYSA-N 1 2 365.506 4.382 20 30 FIEDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000375726882 1085331981 /nfs/dbraw/zinc/33/19/81/1085331981.db2.gz YZGQNQBOAVYIRK-SFTDATJTSA-N 1 2 360.461 4.131 20 30 FIEDLO CC(C)(C)c1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000120310893 1085344753 /nfs/dbraw/zinc/34/47/53/1085344753.db2.gz SBGCMKYZYYJUAW-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1F ZINC000046518418 1085354730 /nfs/dbraw/zinc/35/47/30/1085354730.db2.gz DOVBJUMWICMIFT-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1F ZINC000046518418 1085354741 /nfs/dbraw/zinc/35/47/41/1085354741.db2.gz DOVBJUMWICMIFT-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1c[nH+]c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccn12 ZINC001126309265 1086726463 /nfs/dbraw/zinc/72/64/63/1086726463.db2.gz AFIZLVNRJKRANJ-UHFFFAOYSA-N 1 2 372.453 4.173 20 30 FIEDLO Cc1cc(Br)cn2c(CNc3ccc(F)c(C#N)c3)c[nH+]c12 ZINC000432409812 1086731244 /nfs/dbraw/zinc/73/12/44/1086731244.db2.gz JHNHFUOOFODGMD-UHFFFAOYSA-N 1 2 359.202 4.028 20 30 FIEDLO Cc1cc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nc(C2CC2)[nH+]1 ZINC000329234868 1086780007 /nfs/dbraw/zinc/78/00/07/1086780007.db2.gz NAIDSRHVGMBYQU-AWEZNQCLSA-N 1 2 371.872 4.215 20 30 FIEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000245673086 1086821236 /nfs/dbraw/zinc/82/12/36/1086821236.db2.gz KNLWGCJQHHZTHE-UPKQVVFYSA-N 1 2 370.443 4.186 20 30 FIEDLO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000245673086 1086821250 /nfs/dbraw/zinc/82/12/50/1086821250.db2.gz KNLWGCJQHHZTHE-UPKQVVFYSA-N 1 2 370.443 4.186 20 30 FIEDLO N#CCC1CC[NH+](Cc2ccc(I)cc2Cl)CC1 ZINC000548801735 1086821634 /nfs/dbraw/zinc/82/16/34/1086821634.db2.gz JUSHABQWCLRFEA-UHFFFAOYSA-N 1 2 374.653 4.070 20 30 FIEDLO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc(C#N)c1 ZINC000611798306 1087083867 /nfs/dbraw/zinc/08/38/67/1087083867.db2.gz XHAOBVGUPZQAIW-LBPRGKRZSA-N 1 2 372.259 4.297 20 30 FIEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC000080948598 1087287786 /nfs/dbraw/zinc/28/77/86/1087287786.db2.gz IFFBPRSHVIAHHH-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000480552750 1087528507 /nfs/dbraw/zinc/52/85/07/1087528507.db2.gz KFQKZQIWVWIXGE-UHFFFAOYSA-N 1 2 354.881 4.435 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1cccc(F)c1 ZINC000472337476 1087599908 /nfs/dbraw/zinc/59/99/08/1087599908.db2.gz PQZIJRJKZZLWSB-ZUOKHONESA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1cccc(F)c1 ZINC000472337476 1087599912 /nfs/dbraw/zinc/59/99/12/1087599912.db2.gz PQZIJRJKZZLWSB-ZUOKHONESA-N 1 2 371.843 4.372 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000505038386 1088078437 /nfs/dbraw/zinc/07/84/37/1088078437.db2.gz JCJOTVPLZNWDKO-UHFFFAOYSA-N 1 2 353.466 4.490 20 30 FIEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Br)n1 ZINC000181175116 1088263167 /nfs/dbraw/zinc/26/31/67/1088263167.db2.gz HHBIUGIZPMHDPB-UHFFFAOYSA-N 1 2 350.285 4.111 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)c(C#N)c1C ZINC000434491680 1088678024 /nfs/dbraw/zinc/67/80/24/1088678024.db2.gz KMPYGRKQJJSGLT-HNNXBMFYSA-N 1 2 369.440 4.056 20 30 FIEDLO Cc1cccc([C@H](CNc2cccc(C(F)F)c2C#N)[NH+]2CCOCC2)c1 ZINC000514896043 1089584177 /nfs/dbraw/zinc/58/41/77/1089584177.db2.gz WZQNDAREPAKAQQ-FQEVSTJZSA-N 1 2 371.431 4.290 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000664504297 1089953815 /nfs/dbraw/zinc/95/38/15/1089953815.db2.gz FFUJMGSGBRBQGA-ZVDOUQERSA-N 1 2 364.493 4.134 20 30 FIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)cc1 ZINC000378081244 1090087985 /nfs/dbraw/zinc/08/79/85/1090087985.db2.gz XKDAUXWQXDUTRY-UHFFFAOYSA-N 1 2 371.444 4.045 20 30 FIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)cc1 ZINC000378081244 1090087995 /nfs/dbraw/zinc/08/79/95/1090087995.db2.gz XKDAUXWQXDUTRY-UHFFFAOYSA-N 1 2 371.444 4.045 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)CC1 ZINC000123406621 1091164452 /nfs/dbraw/zinc/16/44/52/1091164452.db2.gz MKYIPXKXRBKTJV-UHFFFAOYSA-N 1 2 374.897 4.152 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121019786 1092590868 /nfs/dbraw/zinc/59/08/68/1092590868.db2.gz HLWTXTADTAIGEL-CQSZACIVSA-N 1 2 356.495 4.078 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121019786 1092590877 /nfs/dbraw/zinc/59/08/77/1092590877.db2.gz HLWTXTADTAIGEL-CQSZACIVSA-N 1 2 356.495 4.078 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000512547215 1092901655 /nfs/dbraw/zinc/90/16/55/1092901655.db2.gz KOBWVLOIJZDUSS-CEXWTWQISA-N 1 2 360.546 4.020 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000512547215 1092901661 /nfs/dbraw/zinc/90/16/61/1092901661.db2.gz KOBWVLOIJZDUSS-CEXWTWQISA-N 1 2 360.546 4.020 20 30 FIEDLO C=C(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccccc1 ZINC000512659328 1093095459 /nfs/dbraw/zinc/09/54/59/1093095459.db2.gz FTNLFSGOPIMBIW-FCHUYYIVSA-N 1 2 372.472 4.124 20 30 FIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000522195596 1093200626 /nfs/dbraw/zinc/20/06/26/1093200626.db2.gz NGNSEDWGSQPFMN-UHFFFAOYSA-N 1 2 358.445 4.042 20 30 FIEDLO CC(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(C2CC2)no1 ZINC000113356757 1093306393 /nfs/dbraw/zinc/30/63/93/1093306393.db2.gz KQGOILBNVCYTDU-GOSISDBHSA-N 1 2 354.454 4.116 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300930 1093556624 /nfs/dbraw/zinc/55/66/24/1093556624.db2.gz FPBDWLHCBRZAEH-OAHLLOKOSA-N 1 2 374.271 4.293 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300930 1093556633 /nfs/dbraw/zinc/55/66/33/1093556633.db2.gz FPBDWLHCBRZAEH-OAHLLOKOSA-N 1 2 374.271 4.293 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000614352885 1093728459 /nfs/dbraw/zinc/72/84/59/1093728459.db2.gz QZZPAGKPEKNJRM-HSZRJFAPSA-N 1 2 366.505 4.197 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000614352885 1093728463 /nfs/dbraw/zinc/72/84/63/1093728463.db2.gz QZZPAGKPEKNJRM-HSZRJFAPSA-N 1 2 366.505 4.197 20 30 FIEDLO C=C1CC[NH+](Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000513450447 1094137965 /nfs/dbraw/zinc/13/79/65/1094137965.db2.gz KDLABUDYSNXLOZ-UHFFFAOYSA-N 1 2 354.288 4.016 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H](CCC)C2)c1=S ZINC000163123081 1094277677 /nfs/dbraw/zinc/27/76/77/1094277677.db2.gz SHLQGYDRVRXNSZ-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H](CCC)C2)c1=S ZINC000163123081 1094277683 /nfs/dbraw/zinc/27/76/83/1094277683.db2.gz SHLQGYDRVRXNSZ-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000501255217 1094577720 /nfs/dbraw/zinc/57/77/20/1094577720.db2.gz BOCGWQHWPZCYPH-UHFFFAOYSA-N 1 2 374.488 4.310 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000501255217 1094577736 /nfs/dbraw/zinc/57/77/36/1094577736.db2.gz BOCGWQHWPZCYPH-UHFFFAOYSA-N 1 2 374.488 4.310 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329121721 1094747950 /nfs/dbraw/zinc/74/79/50/1094747950.db2.gz WHXLIHQSESHCEH-OKZBNKHCSA-N 1 2 357.498 4.421 20 30 FIEDLO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329254791 1094798614 /nfs/dbraw/zinc/79/86/14/1094798614.db2.gz BELCRNQJQGYNGZ-IBGZPJMESA-N 1 2 368.456 4.209 20 30 FIEDLO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329263195 1094801909 /nfs/dbraw/zinc/80/19/09/1094801909.db2.gz DJSRTOOZZUQDHX-RBUKOAKNSA-N 1 2 352.482 4.435 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329344170 1094851784 /nfs/dbraw/zinc/85/17/84/1094851784.db2.gz UDMVNRJYTDCKRF-UHFFFAOYSA-N 1 2 359.499 4.339 20 30 FIEDLO C[C@H]1SCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1C ZINC000329630251 1095030748 /nfs/dbraw/zinc/03/07/48/1095030748.db2.gz QRSNKKYLWDAHQA-LSDHHAIUSA-N 1 2 370.522 4.258 20 30 FIEDLO Cc1csc(C2([NH2+]CC(=O)N[C@H]3CCCc4ccccc43)CCC2)n1 ZINC000329752891 1095251685 /nfs/dbraw/zinc/25/16/85/1095251685.db2.gz JTJNETJUYIWXJR-KRWDZBQOSA-N 1 2 355.507 4.454 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000330010457 1095349582 /nfs/dbraw/zinc/34/95/82/1095349582.db2.gz ICDCPRMCMOPTRL-UHFFFAOYSA-N 1 2 374.510 4.260 20 30 FIEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330157699 1095399500 /nfs/dbraw/zinc/39/95/00/1095399500.db2.gz POGBRXFQOOUGIS-CDMIOBSGSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330157699 1095399523 /nfs/dbraw/zinc/39/95/23/1095399523.db2.gz POGBRXFQOOUGIS-CDMIOBSGSA-N 1 2 368.477 4.086 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330191197 1095411274 /nfs/dbraw/zinc/41/12/74/1095411274.db2.gz MWNUBPMUFPNMIQ-CYBMUJFWSA-N 1 2 364.902 4.016 20 30 FIEDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)s1 ZINC000330323447 1095509683 /nfs/dbraw/zinc/50/96/83/1095509683.db2.gz HRGAOOLRLWBTOH-GFCCVEGCSA-N 1 2 364.540 4.381 20 30 FIEDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)s1 ZINC000330323449 1095510267 /nfs/dbraw/zinc/51/02/67/1095510267.db2.gz HRGAOOLRLWBTOH-LBPRGKRZSA-N 1 2 364.540 4.381 20 30 FIEDLO Cc1cccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)c1 ZINC000502501769 1095520301 /nfs/dbraw/zinc/52/03/01/1095520301.db2.gz SXYIXQLIEOVSPJ-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO Cc1cccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)c1 ZINC000502501769 1095520312 /nfs/dbraw/zinc/52/03/12/1095520312.db2.gz SXYIXQLIEOVSPJ-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO Cc1cc(C)c(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502504652 1095523343 /nfs/dbraw/zinc/52/33/43/1095523343.db2.gz BQHJPEFFSUKIPM-UHFFFAOYSA-N 1 2 359.473 4.211 20 30 FIEDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502504652 1095523362 /nfs/dbraw/zinc/52/33/62/1095523362.db2.gz BQHJPEFFSUKIPM-UHFFFAOYSA-N 1 2 359.473 4.211 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522947 1095536868 /nfs/dbraw/zinc/53/68/68/1095536868.db2.gz NFLFXDTYZMJVNH-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502522947 1095536880 /nfs/dbraw/zinc/53/68/80/1095536880.db2.gz NFLFXDTYZMJVNH-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1cc(-c2nnc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)c(C)o1 ZINC000502532834 1095582516 /nfs/dbraw/zinc/58/25/16/1095582516.db2.gz WRHTUQGUGGERMS-UHFFFAOYSA-N 1 2 360.417 4.107 20 30 FIEDLO Cc1cc(-c2nnc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)c(C)o1 ZINC000502532834 1095582527 /nfs/dbraw/zinc/58/25/27/1095582527.db2.gz WRHTUQGUGGERMS-UHFFFAOYSA-N 1 2 360.417 4.107 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000502553173 1095584998 /nfs/dbraw/zinc/58/49/98/1095584998.db2.gz KHJAMISILOBXBO-UHFFFAOYSA-N 1 2 358.420 4.172 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000502553173 1095585001 /nfs/dbraw/zinc/58/50/01/1095585001.db2.gz KHJAMISILOBXBO-UHFFFAOYSA-N 1 2 358.420 4.172 20 30 FIEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166887 1095805413 /nfs/dbraw/zinc/80/54/13/1095805413.db2.gz KKPDCHYLWAAWFD-BFUOFWGJSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166887 1095805444 /nfs/dbraw/zinc/80/54/44/1095805444.db2.gz KKPDCHYLWAAWFD-BFUOFWGJSA-N 1 2 371.843 4.372 20 30 FIEDLO CCOc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1OC ZINC000272644176 1096198678 /nfs/dbraw/zinc/19/86/78/1096198678.db2.gz YCDOGAOQTYTXKG-UHFFFAOYSA-N 1 2 371.506 4.343 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000664333987 1096544355 /nfs/dbraw/zinc/54/43/55/1096544355.db2.gz UIMZNLKUSUOMEU-HZPDHXFCSA-N 1 2 362.543 4.195 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000664333987 1096544363 /nfs/dbraw/zinc/54/43/63/1096544363.db2.gz UIMZNLKUSUOMEU-HZPDHXFCSA-N 1 2 362.543 4.195 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000664333990 1096544735 /nfs/dbraw/zinc/54/47/35/1096544735.db2.gz UIMZNLKUSUOMEU-JKSUJKDBSA-N 1 2 362.543 4.195 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000664333990 1096544741 /nfs/dbraw/zinc/54/47/41/1096544741.db2.gz UIMZNLKUSUOMEU-JKSUJKDBSA-N 1 2 362.543 4.195 20 30 FIEDLO CC[C@H](C#N)Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000436049090 1098676589 /nfs/dbraw/zinc/67/65/89/1098676589.db2.gz KZMZFMURJKUPDK-NVXWUHKLSA-N 1 2 355.511 4.208 20 30 FIEDLO Cc1cc(C#N)ccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436163868 1098781668 /nfs/dbraw/zinc/78/16/68/1098781668.db2.gz SCRMQNSGWMXDSF-UHFFFAOYSA-N 1 2 356.429 4.319 20 30 FIEDLO C=C(C)COc1cc(CNc2ccc(N3CCCC3)[nH+]c2)ccc1OC ZINC000533308889 1098958045 /nfs/dbraw/zinc/95/80/45/1098958045.db2.gz KOPILMIKYBYBAD-UHFFFAOYSA-N 1 2 353.466 4.257 20 30 FIEDLO N#CCCCOc1cccc(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000533452497 1099061506 /nfs/dbraw/zinc/06/15/06/1099061506.db2.gz FELNZFQPXWRMCV-UHFFFAOYSA-N 1 2 350.466 4.367 20 30 FIEDLO CCCOc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OC ZINC000459387472 1099333374 /nfs/dbraw/zinc/33/33/74/1099333374.db2.gz DDHJOFUFTAWTLJ-AWEZNQCLSA-N 1 2 369.421 4.115 20 30 FIEDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OC ZINC000459387479 1099333861 /nfs/dbraw/zinc/33/38/61/1099333861.db2.gz DDHJOFUFTAWTLJ-CQSZACIVSA-N 1 2 369.421 4.115 20 30 FIEDLO N#Cc1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000533807264 1099969045 /nfs/dbraw/zinc/96/90/45/1099969045.db2.gz UZAYYACZVWDASP-UHFFFAOYSA-N 1 2 355.401 4.117 20 30 FIEDLO C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000455766066 1100023168 /nfs/dbraw/zinc/02/31/68/1100023168.db2.gz FJRMPXGJXVUODJ-QGZVFWFLSA-N 1 2 372.472 4.190 20 30 FIEDLO Cc1cc(SC2CCCCC2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000517231453 1100201847 /nfs/dbraw/zinc/20/18/47/1100201847.db2.gz IIIJVCFSATYSNT-KRWDZBQOSA-N 1 2 361.555 4.038 20 30 FIEDLO Cc1cc(SC2CCCCC2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000517231453 1100201858 /nfs/dbraw/zinc/20/18/58/1100201858.db2.gz IIIJVCFSATYSNT-KRWDZBQOSA-N 1 2 361.555 4.038 20 30 FIEDLO O=C(Nc1ccccc1)[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000438668207 1100844794 /nfs/dbraw/zinc/84/47/94/1100844794.db2.gz MSNYALZSGRLAIN-QFIPXVFZSA-N 1 2 358.416 4.147 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475345 1101233747 /nfs/dbraw/zinc/23/37/47/1101233747.db2.gz IRSWZFVPULMFOH-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475345 1101233756 /nfs/dbraw/zinc/23/37/56/1101233756.db2.gz IRSWZFVPULMFOH-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+]CC(C)(C)CC#N)cs1)c1ccc(C)cc1 ZINC000459732805 1101349193 /nfs/dbraw/zinc/34/91/93/1101349193.db2.gz PJXUZWQXYWOXMD-UHFFFAOYSA-N 1 2 356.495 4.166 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2F)C(C)C)c(C#N)c1C ZINC000426367190 1101369980 /nfs/dbraw/zinc/36/99/80/1101369980.db2.gz VNRDOFVYSVSGEO-UHFFFAOYSA-N 1 2 359.470 4.225 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)c(C#N)c1C ZINC000426367190 1101369994 /nfs/dbraw/zinc/36/99/94/1101369994.db2.gz VNRDOFVYSVSGEO-UHFFFAOYSA-N 1 2 359.470 4.225 20 30 FIEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610246966 1101406866 /nfs/dbraw/zinc/40/68/66/1101406866.db2.gz YOEYYGZYTIISRW-XMSQKQJNSA-N 1 2 373.456 4.294 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000506638534 1101645558 /nfs/dbraw/zinc/64/55/58/1101645558.db2.gz DKZQHAURRLXECD-CQSZACIVSA-N 1 2 353.397 4.291 20 30 FIEDLO Cc1cccn2c(/C=C3/Cc4cc(Br)ccc4C3=O)c[nH+]c12 ZINC000760229011 1101880994 /nfs/dbraw/zinc/88/09/94/1101880994.db2.gz FQHQENDLQHKORL-LCYFTJDESA-N 1 2 353.219 4.228 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666450357 1102215072 /nfs/dbraw/zinc/21/50/72/1102215072.db2.gz BVJWYOUFWWYVAA-QGZVFWFLSA-N 1 2 362.477 4.422 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)c1C ZINC000052074627 1102242907 /nfs/dbraw/zinc/24/29/07/1102242907.db2.gz URIGXGWIOKHDKL-SFHVURJKSA-N 1 2 367.468 4.382 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)c1C ZINC000052074627 1102242915 /nfs/dbraw/zinc/24/29/15/1102242915.db2.gz URIGXGWIOKHDKL-SFHVURJKSA-N 1 2 367.468 4.382 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000532473773 1102396737 /nfs/dbraw/zinc/39/67/37/1102396737.db2.gz UPINAPFJVKQBJV-CQSZACIVSA-N 1 2 359.520 4.070 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000532473773 1102396747 /nfs/dbraw/zinc/39/67/47/1102396747.db2.gz UPINAPFJVKQBJV-CQSZACIVSA-N 1 2 359.520 4.070 20 30 FIEDLO N#Cc1ccccc1/C=C\c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000612898963 1102484362 /nfs/dbraw/zinc/48/43/62/1102484362.db2.gz TVUTVVPJPKXAEI-HJWRWDBZSA-N 1 2 353.385 4.023 20 30 FIEDLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000537842619 1103964875 /nfs/dbraw/zinc/96/48/75/1103964875.db2.gz AIFIKOHGXMTSNN-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000537842619 1103964877 /nfs/dbraw/zinc/96/48/77/1103964877.db2.gz AIFIKOHGXMTSNN-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000538305411 1104126270 /nfs/dbraw/zinc/12/62/70/1104126270.db2.gz SMVFXBFKTABELQ-SNVBAGLBSA-N 1 2 359.214 4.175 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000538305411 1104126277 /nfs/dbraw/zinc/12/62/77/1104126277.db2.gz SMVFXBFKTABELQ-SNVBAGLBSA-N 1 2 359.214 4.175 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000112546957 1104369332 /nfs/dbraw/zinc/36/93/32/1104369332.db2.gz INRVNGIZHOPMQA-KGLIPLIRSA-N 1 2 363.552 4.021 20 30 FIEDLO CC(C)c1cnc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328657285 1104525813 /nfs/dbraw/zinc/52/58/13/1104525813.db2.gz ORXXCQAJPXHMLY-AWEZNQCLSA-N 1 2 373.526 4.224 20 30 FIEDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1noc2c1CCCC2 ZINC000328940044 1104595526 /nfs/dbraw/zinc/59/55/26/1104595526.db2.gz SGNYSWANOXJVFX-UHFFFAOYSA-N 1 2 362.433 4.390 20 30 FIEDLO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328931640 1104603501 /nfs/dbraw/zinc/60/35/01/1104603501.db2.gz HZRXNPUCPHBNBE-XKGZKEIXSA-N 1 2 353.466 4.101 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000445819518 1109001655 /nfs/dbraw/zinc/00/16/55/1109001655.db2.gz BAVBINFPGQAMAY-UHFFFAOYSA-N 1 2 358.420 4.172 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000445819518 1109001660 /nfs/dbraw/zinc/00/16/60/1109001660.db2.gz BAVBINFPGQAMAY-UHFFFAOYSA-N 1 2 358.420 4.172 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475645204 1109371150 /nfs/dbraw/zinc/37/11/50/1109371150.db2.gz ZLYAPVMYCPVJEC-KRWDZBQOSA-N 1 2 352.261 4.381 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441182880 1109407262 /nfs/dbraw/zinc/40/72/62/1109407262.db2.gz QGHKHIDWOUTEJO-MRXNPFEDSA-N 1 2 350.447 4.179 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441182880 1109407265 /nfs/dbraw/zinc/40/72/65/1109407265.db2.gz QGHKHIDWOUTEJO-MRXNPFEDSA-N 1 2 350.447 4.179 20 30 FIEDLO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000441283433 1109561526 /nfs/dbraw/zinc/56/15/26/1109561526.db2.gz YMWFKZCTHIPBSA-UHFFFAOYSA-N 1 2 350.397 4.158 20 30 FIEDLO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000441283433 1109561530 /nfs/dbraw/zinc/56/15/30/1109561530.db2.gz YMWFKZCTHIPBSA-UHFFFAOYSA-N 1 2 350.397 4.158 20 30 FIEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000447670770 1109614979 /nfs/dbraw/zinc/61/49/79/1109614979.db2.gz KORHHQALTQGDDD-IBGZPJMESA-N 1 2 358.445 4.283 20 30 FIEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OCc1cccs1 ZINC000546634027 1109655576 /nfs/dbraw/zinc/65/55/76/1109655576.db2.gz MXRNUXKYRVVHKI-UHFFFAOYSA-N 1 2 365.458 4.409 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577019 1110033800 /nfs/dbraw/zinc/03/38/00/1110033800.db2.gz FLZSTUDKMDOJLF-UHFFFAOYSA-N 1 2 368.456 4.193 20 30 FIEDLO CC[N@@H+]1CC[C@H](NC(=O)C(C#N)(CC)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528962799 1110163320 /nfs/dbraw/zinc/16/33/20/1110163320.db2.gz JTPLNVAYMOXTLX-IRXDYDNUSA-N 1 2 365.880 4.061 20 30 FIEDLO CC[N@H+]1CC[C@H](NC(=O)C(C#N)(CC)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528962799 1110163322 /nfs/dbraw/zinc/16/33/22/1110163322.db2.gz JTPLNVAYMOXTLX-IRXDYDNUSA-N 1 2 365.880 4.061 20 30 FIEDLO C[C@H](CC#N)N(C)Cc1cc(C[N@H+](C)[C@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485995 1110304655 /nfs/dbraw/zinc/30/46/55/1110304655.db2.gz QZHRDTLRMSVUBD-HUUCEWRRSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@H](CC#N)N(C)Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485995 1110304657 /nfs/dbraw/zinc/30/46/57/1110304657.db2.gz QZHRDTLRMSVUBD-HUUCEWRRSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000450610613 1110319668 /nfs/dbraw/zinc/31/96/68/1110319668.db2.gz HEPGAUHFGUYHEJ-DLBZAZTESA-N 1 2 368.500 4.074 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)c(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000450610613 1110319670 /nfs/dbraw/zinc/31/96/70/1110319670.db2.gz HEPGAUHFGUYHEJ-DLBZAZTESA-N 1 2 368.500 4.074 20 30 FIEDLO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450672653 1110328345 /nfs/dbraw/zinc/32/83/45/1110328345.db2.gz IJJKVRUYSRGWRJ-CYBMUJFWSA-N 1 2 369.284 4.368 20 30 FIEDLO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962999 1111442814 /nfs/dbraw/zinc/44/28/14/1111442814.db2.gz FKXBNPVEYREYAB-SJORKVTESA-N 1 2 362.811 4.051 20 30 FIEDLO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962999 1111442816 /nfs/dbraw/zinc/44/28/16/1111442816.db2.gz FKXBNPVEYREYAB-SJORKVTESA-N 1 2 362.811 4.051 20 30 FIEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1F ZINC000539238135 1111489646 /nfs/dbraw/zinc/48/96/46/1111489646.db2.gz BPDBFTASWCUGQS-UHFFFAOYSA-N 1 2 356.828 4.446 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1C(F)(F)F ZINC000539342857 1111525949 /nfs/dbraw/zinc/52/59/49/1111525949.db2.gz KXEFRPRIGYQODA-LBPRGKRZSA-N 1 2 372.350 4.478 20 30 FIEDLO N#Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1Cl ZINC000554796118 1112495359 /nfs/dbraw/zinc/49/53/59/1112495359.db2.gz ZWXMLXGDRKZCME-UHFFFAOYSA-N 1 2 361.792 4.173 20 30 FIEDLO C=CCCCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000480877651 1112651230 /nfs/dbraw/zinc/65/12/30/1112651230.db2.gz DLKAMVLDWRRPQE-UHFFFAOYSA-N 1 2 363.864 4.451 20 30 FIEDLO CC[C@H](c1nnc(SC[C@H](C#N)CCC#N)n1C1CCCCC1)[NH+](C)C ZINC000066399158 1113287495 /nfs/dbraw/zinc/28/74/95/1113287495.db2.gz SDOXZWDKRODCCV-DOTOQJQBSA-N 1 2 374.558 4.332 20 30 FIEDLO CC(C)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043551732 1113606418 /nfs/dbraw/zinc/60/64/18/1113606418.db2.gz LGBTWYBIIOYNRL-UHFFFAOYSA-N 1 2 362.477 4.031 20 30 FIEDLO COc1c(C)c[nH+]c(CSc2nc(C(F)(F)F)ccc2C#N)c1C ZINC000488750661 1113989477 /nfs/dbraw/zinc/98/94/77/1113989477.db2.gz UUMBVPYFFULVIT-UHFFFAOYSA-N 1 2 353.369 4.285 20 30 FIEDLO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4c(Cl)cccc34)CC2)nc1 ZINC000587821102 1114495383 /nfs/dbraw/zinc/49/53/83/1114495383.db2.gz QPFFRQOJIFZVFS-UHFFFAOYSA-N 1 2 363.852 4.236 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000572479993 1114648596 /nfs/dbraw/zinc/64/85/96/1114648596.db2.gz VMOLJQQKEJDUNH-LBPRGKRZSA-N 1 2 354.281 4.336 20 30 FIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000594754328 1115480704 /nfs/dbraw/zinc/48/07/04/1115480704.db2.gz GZITZDOQLDVBGE-OAQYLSRUSA-N 1 2 350.462 4.335 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610944 1115553212 /nfs/dbraw/zinc/55/32/12/1115553212.db2.gz DPIOAXQDGLAYFQ-NEPJUHHUSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610944 1115553215 /nfs/dbraw/zinc/55/32/15/1115553215.db2.gz DPIOAXQDGLAYFQ-NEPJUHHUSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616146 1115553785 /nfs/dbraw/zinc/55/37/85/1115553785.db2.gz QMCHXYACBISOHJ-ROUUACIJSA-N 1 2 363.461 4.432 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616146 1115553787 /nfs/dbraw/zinc/55/37/87/1115553787.db2.gz QMCHXYACBISOHJ-ROUUACIJSA-N 1 2 363.461 4.432 20 30 FIEDLO COc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)cc1C#N ZINC000595747744 1115561015 /nfs/dbraw/zinc/56/10/15/1115561015.db2.gz FSWXYBKBVFFEKD-MRXNPFEDSA-N 1 2 365.260 4.039 20 30 FIEDLO COc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Cl)c2Cl)cc1C#N ZINC000595747744 1115561018 /nfs/dbraw/zinc/56/10/18/1115561018.db2.gz FSWXYBKBVFFEKD-MRXNPFEDSA-N 1 2 365.260 4.039 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)CC3(C#N)CCCCC3)n2)CC1 ZINC000596895543 1115622991 /nfs/dbraw/zinc/62/29/91/1115622991.db2.gz RWTREEOOVSVEIC-UHFFFAOYSA-N 1 2 360.527 4.178 20 30 FIEDLO Cc1c[nH]c2nc(NC3=C(c4ccccc4)C(=O)c4ccccc43)[nH+]cc12 ZINC001168410468 1115631074 /nfs/dbraw/zinc/63/10/74/1115631074.db2.gz HXAHAEOHCPDYLG-UHFFFAOYSA-N 1 2 352.397 4.395 20 30 FIEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 ZINC000602612954 1115716266 /nfs/dbraw/zinc/71/62/66/1115716266.db2.gz VRNAIEPUJBFOJR-QGZVFWFLSA-N 1 2 364.449 4.383 20 30 FIEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621038 1115740240 /nfs/dbraw/zinc/74/02/40/1115740240.db2.gz QWLCRDQPBPIMTF-YOEHRIQHSA-N 1 2 360.889 4.044 20 30 FIEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621038 1115740246 /nfs/dbraw/zinc/74/02/46/1115740246.db2.gz QWLCRDQPBPIMTF-YOEHRIQHSA-N 1 2 360.889 4.044 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@@H+]3CCc4c(CC#N)cccc4C3)co2)cc1 ZINC000599678744 1115837679 /nfs/dbraw/zinc/83/76/79/1115837679.db2.gz XWOBBJWBVHIUCO-UHFFFAOYSA-N 1 2 373.456 4.365 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@H+]3CCc4c(CC#N)cccc4C3)co2)cc1 ZINC000599678744 1115837684 /nfs/dbraw/zinc/83/76/84/1115837684.db2.gz XWOBBJWBVHIUCO-UHFFFAOYSA-N 1 2 373.456 4.365 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc(Cl)cc3)o1)C2 ZINC000599686771 1115838039 /nfs/dbraw/zinc/83/80/39/1115838039.db2.gz YJJMHWISTSTYIZ-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc(-c3ccc(Cl)cc3)o1)C2 ZINC000599686771 1115838041 /nfs/dbraw/zinc/83/80/41/1115838041.db2.gz YJJMHWISTSTYIZ-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938412 1116010188 /nfs/dbraw/zinc/01/01/88/1116010188.db2.gz AUWANSYQWBTIDC-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938412 1116010192 /nfs/dbraw/zinc/01/01/92/1116010192.db2.gz AUWANSYQWBTIDC-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](CCC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300351 1116038475 /nfs/dbraw/zinc/03/84/75/1116038475.db2.gz VVPUOSFXVLHWCU-JOCHJYFZSA-N 1 2 361.489 4.204 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](CCC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300351 1116038478 /nfs/dbraw/zinc/03/84/78/1116038478.db2.gz VVPUOSFXVLHWCU-JOCHJYFZSA-N 1 2 361.489 4.204 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000063300465 1116039587 /nfs/dbraw/zinc/03/95/87/1116039587.db2.gz YACBZEBFMPHCSZ-UHFFFAOYSA-N 1 2 361.489 4.482 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000063300465 1116039592 /nfs/dbraw/zinc/03/95/92/1116039592.db2.gz YACBZEBFMPHCSZ-UHFFFAOYSA-N 1 2 361.489 4.482 20 30 FIEDLO CC#CCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000462390688 1116343330 /nfs/dbraw/zinc/34/33/30/1116343330.db2.gz CEYYNSRIDTYLMX-KRWDZBQOSA-N 1 2 354.523 4.320 20 30 FIEDLO C[C@H](c1nnc(SCC2(C#N)CC2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000539757647 1116375943 /nfs/dbraw/zinc/37/59/43/1116375943.db2.gz CVQQDRFMTGBKJZ-MRXNPFEDSA-N 1 2 367.522 4.210 20 30 FIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(C(F)(F)F)c1 ZINC000463070937 1117956464 /nfs/dbraw/zinc/95/64/64/1117956464.db2.gz IROIBSJQKARTMH-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(C(F)(F)F)c1 ZINC000463070937 1117956466 /nfs/dbraw/zinc/95/64/66/1117956466.db2.gz IROIBSJQKARTMH-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000506498018 1118054624 /nfs/dbraw/zinc/05/46/24/1118054624.db2.gz ZYYPBKSVQNKOMM-UHFFFAOYSA-N 1 2 360.461 4.283 20 30 FIEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000506498018 1118054629 /nfs/dbraw/zinc/05/46/29/1118054629.db2.gz ZYYPBKSVQNKOMM-UHFFFAOYSA-N 1 2 360.461 4.283 20 30 FIEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000540597848 1118140637 /nfs/dbraw/zinc/14/06/37/1118140637.db2.gz VAVNBLRCQVQGDZ-LIRRHRJNSA-N 1 2 350.853 4.385 20 30 FIEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541318442 1118474855 /nfs/dbraw/zinc/47/48/55/1118474855.db2.gz LKEDPLYUCUKLCS-SCLBCKFNSA-N 1 2 363.288 4.363 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000030581110 1119035051 /nfs/dbraw/zinc/03/50/51/1119035051.db2.gz QMDSWTAFCZXZFW-HNNXBMFYSA-N 1 2 371.506 4.192 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000030581110 1119035054 /nfs/dbraw/zinc/03/50/54/1119035054.db2.gz QMDSWTAFCZXZFW-HNNXBMFYSA-N 1 2 371.506 4.192 20 30 FIEDLO C=C(C)Cn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccncc1 ZINC000187341758 1119777693 /nfs/dbraw/zinc/77/76/93/1119777693.db2.gz UBQXGVZXXRMKJZ-UHFFFAOYSA-N 1 2 351.479 4.220 20 30 FIEDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(F)cc1C#N ZINC000494279148 1119813317 /nfs/dbraw/zinc/81/33/17/1119813317.db2.gz HOUUKVXJLZRVNN-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(F)cc1C#N ZINC000494279148 1119813324 /nfs/dbraw/zinc/81/33/24/1119813324.db2.gz HOUUKVXJLZRVNN-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H](CC)CC2)c1=S ZINC000153339751 1120515319 /nfs/dbraw/zinc/51/53/19/1120515319.db2.gz JWNVKGZXMCXMQP-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H](CC)CC2)c1=S ZINC000153339751 1120515322 /nfs/dbraw/zinc/51/53/22/1120515322.db2.gz JWNVKGZXMCXMQP-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000027220250 1120733689 /nfs/dbraw/zinc/73/36/89/1120733689.db2.gz CWOXIDDWNNUVPI-NRFANRHFSA-N 1 2 354.519 4.312 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000027220250 1120733697 /nfs/dbraw/zinc/73/36/97/1120733697.db2.gz CWOXIDDWNNUVPI-NRFANRHFSA-N 1 2 354.519 4.312 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000915203380 1120868629 /nfs/dbraw/zinc/86/86/29/1120868629.db2.gz OJJCDYIOLREPGZ-UHFFFAOYSA-N 1 2 356.539 4.413 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000915203380 1120868635 /nfs/dbraw/zinc/86/86/35/1120868635.db2.gz OJJCDYIOLREPGZ-UHFFFAOYSA-N 1 2 356.539 4.413 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332669 1121335311 /nfs/dbraw/zinc/33/53/11/1121335311.db2.gz NCBGTHWKZMSDPC-SFHVURJKSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332669 1121335321 /nfs/dbraw/zinc/33/53/21/1121335321.db2.gz NCBGTHWKZMSDPC-SFHVURJKSA-N 1 2 354.523 4.265 20 30 FIEDLO FC(F)(F)c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000916259690 1121454842 /nfs/dbraw/zinc/45/48/42/1121454842.db2.gz DXKRHSUAYIATDE-UHFFFAOYSA-N 1 2 355.385 4.050 20 30 FIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000624533591 1122027188 /nfs/dbraw/zinc/02/71/88/1122027188.db2.gz XEGPGIFKHKGCCW-UHFFFAOYSA-N 1 2 359.882 4.115 20 30 FIEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000066396658 1122059097 /nfs/dbraw/zinc/05/90/97/1122059097.db2.gz WAFQQWFOVWFLJF-OAQYLSRUSA-N 1 2 372.472 4.224 20 30 FIEDLO N#Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1F ZINC000556434264 1122888090 /nfs/dbraw/zinc/88/80/90/1122888090.db2.gz HPXNSUWFVWFXIG-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO Cn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc2cc(Cl)ccc21 ZINC000194958015 1123054135 /nfs/dbraw/zinc/05/41/35/1123054135.db2.gz LMGQRYNUTYCEDV-UHFFFAOYSA-N 1 2 350.853 4.263 20 30 FIEDLO Cn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc2cc(Cl)ccc21 ZINC000194958015 1123054140 /nfs/dbraw/zinc/05/41/40/1123054140.db2.gz LMGQRYNUTYCEDV-UHFFFAOYSA-N 1 2 350.853 4.263 20 30 FIEDLO COCC[N@H+](Cc1sccc1Br)Cc1cccc(C#N)c1 ZINC000195000352 1123068185 /nfs/dbraw/zinc/06/81/85/1123068185.db2.gz KDCKFSRBBUCWKF-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO COCC[N@@H+](Cc1sccc1Br)Cc1cccc(C#N)c1 ZINC000195000352 1123068190 /nfs/dbraw/zinc/06/81/90/1123068190.db2.gz KDCKFSRBBUCWKF-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO CCCCCCCCCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000919655843 1123072238 /nfs/dbraw/zinc/07/22/38/1123072238.db2.gz YHUHGCIHTAGVCG-UHFFFAOYSA-N 1 2 360.546 4.442 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053333 1123174141 /nfs/dbraw/zinc/17/41/41/1123174141.db2.gz MVRAKAPNWCUYHI-UHFFFAOYSA-N 1 2 356.429 4.329 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053333 1123174144 /nfs/dbraw/zinc/17/41/44/1123174144.db2.gz MVRAKAPNWCUYHI-UHFFFAOYSA-N 1 2 356.429 4.329 20 30 FIEDLO C=CCCOCC(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000920817316 1123524002 /nfs/dbraw/zinc/52/40/02/1123524002.db2.gz FCVQGCYTKHSXCM-MRXNPFEDSA-N 1 2 369.248 4.067 20 30 FIEDLO N#CC1(c2ccc(Nc3cc(Br)c4[nH+]ccn4c3)cc2)CC1 ZINC001212251841 1123556283 /nfs/dbraw/zinc/55/62/83/1123556283.db2.gz XXIRRNYCAZPPTQ-UHFFFAOYSA-N 1 2 353.223 4.396 20 30 FIEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000609822930 1123850309 /nfs/dbraw/zinc/85/03/09/1123850309.db2.gz VKUCIMOJZRZEJV-SFHVURJKSA-N 1 2 369.468 4.230 20 30 FIEDLO C[NH+](C)[C@H](CNc1c(C#N)cnc2ccccc21)c1c(F)cccc1F ZINC000301391102 1124226075 /nfs/dbraw/zinc/22/60/75/1124226075.db2.gz GWKPTWPBLOIXIQ-GOSISDBHSA-N 1 2 352.388 4.099 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)c1 ZINC000108372942 1124300742 /nfs/dbraw/zinc/30/07/42/1124300742.db2.gz ALZFAMVJLCZMKL-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO N#CCC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000542853294 1124467994 /nfs/dbraw/zinc/46/79/94/1124467994.db2.gz HPDSMWOKXKSKDV-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000542970009 1125070149 /nfs/dbraw/zinc/07/01/49/1125070149.db2.gz IKQCSENUYXFRLT-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000542970009 1125070157 /nfs/dbraw/zinc/07/01/57/1125070157.db2.gz IKQCSENUYXFRLT-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000618548554 1125201504 /nfs/dbraw/zinc/20/15/04/1125201504.db2.gz DMKSSPVTIKIXKA-MRXNPFEDSA-N 1 2 356.267 4.053 20 30 FIEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccnc(C#N)c1 ZINC000618548554 1125201509 /nfs/dbraw/zinc/20/15/09/1125201509.db2.gz DMKSSPVTIKIXKA-MRXNPFEDSA-N 1 2 356.267 4.053 20 30 FIEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780557982 1125287903 /nfs/dbraw/zinc/28/79/03/1125287903.db2.gz FJLRXURSKGVHCY-UHFFFAOYSA-N 1 2 365.868 4.007 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022809 1125441296 /nfs/dbraw/zinc/44/12/96/1125441296.db2.gz HQKWQCYXNOOYDY-IEBWSBKVSA-N 1 2 366.427 4.124 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022809 1125441299 /nfs/dbraw/zinc/44/12/99/1125441299.db2.gz HQKWQCYXNOOYDY-IEBWSBKVSA-N 1 2 366.427 4.124 20 30 FIEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000602492887 567986364 /nfs/dbraw/zinc/98/63/64/567986364.db2.gz SLECSGCLMASDHH-KRWDZBQOSA-N 1 2 364.493 4.397 20 30 FIEDLO COc1nsc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1Br ZINC000602582492 567993881 /nfs/dbraw/zinc/99/38/81/567993881.db2.gz MMJYQDMXRVOQHJ-LBPRGKRZSA-N 1 2 366.284 4.049 20 30 FIEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603855305 568167758 /nfs/dbraw/zinc/16/77/58/568167758.db2.gz UOHPRRLIUFBZPL-OAHLLOKOSA-N 1 2 373.859 4.419 20 30 FIEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603855305 568167759 /nfs/dbraw/zinc/16/77/59/568167759.db2.gz UOHPRRLIUFBZPL-OAHLLOKOSA-N 1 2 373.859 4.419 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000303333605 568266364 /nfs/dbraw/zinc/26/63/64/568266364.db2.gz UDKVEWKYUIYGCL-HNNXBMFYSA-N 1 2 373.859 4.246 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000303333605 568266365 /nfs/dbraw/zinc/26/63/65/568266365.db2.gz UDKVEWKYUIYGCL-HNNXBMFYSA-N 1 2 373.859 4.246 20 30 FIEDLO C=CCC[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000365382724 568584450 /nfs/dbraw/zinc/58/44/50/568584450.db2.gz SURFXHPIWCHUPS-LJQANCHMSA-N 1 2 352.482 4.068 20 30 FIEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c(C#N)c1C ZINC000186952959 1079749470 /nfs/dbraw/zinc/74/94/70/1079749470.db2.gz SRSVLCSYMHXXEI-UHFFFAOYSA-N 1 2 359.520 4.116 20 30 FIEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)ccc1OC(F)F ZINC000254944724 1080069417 /nfs/dbraw/zinc/06/94/17/1080069417.db2.gz VBLISDVWGZLGBE-WAYWQWQTSA-N 1 2 358.344 4.149 20 30 FIEDLO C=C(C)COc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1OC ZINC000274968817 1080307672 /nfs/dbraw/zinc/30/76/72/1080307672.db2.gz IBRCTDGNFAKCKD-UHFFFAOYSA-N 1 2 374.481 4.243 20 30 FIEDLO Cc1cc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc(C2CC2)[nH+]1 ZINC001167152728 1080746867 /nfs/dbraw/zinc/74/68/67/1080746867.db2.gz OQTQYDIXRKCWLC-UHFFFAOYSA-N 1 2 368.868 4.235 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001167251650 1080910456 /nfs/dbraw/zinc/91/04/56/1080910456.db2.gz GJVIIOXDCAERSY-HXUWFJFHSA-N 1 2 365.864 4.005 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001167251650 1080910457 /nfs/dbraw/zinc/91/04/57/1080910457.db2.gz GJVIIOXDCAERSY-HXUWFJFHSA-N 1 2 365.864 4.005 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000177244886 1081199689 /nfs/dbraw/zinc/19/96/89/1081199689.db2.gz BBPRUKIKQZYGFZ-LLVKDONJSA-N 1 2 363.433 4.146 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000177244886 1081199695 /nfs/dbraw/zinc/19/96/95/1081199695.db2.gz BBPRUKIKQZYGFZ-LLVKDONJSA-N 1 2 363.433 4.146 20 30 FIEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000580438122 1081947480 /nfs/dbraw/zinc/94/74/80/1081947480.db2.gz BRIXWEONZVBTCY-OAHLLOKOSA-N 1 2 363.465 4.042 20 30 FIEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC001125480068 1082243668 /nfs/dbraw/zinc/24/36/68/1082243668.db2.gz BHMKQWNEMVOMKG-DLBZAZTESA-N 1 2 362.820 4.140 20 30 FIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001167495858 1083464073 /nfs/dbraw/zinc/46/40/73/1083464073.db2.gz IWWYZYJEVMUXJW-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO COc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000548485139 1083471436 /nfs/dbraw/zinc/47/14/36/1083471436.db2.gz AZCXPMMYEVYXJQ-UHFFFAOYSA-N 1 2 356.853 4.264 20 30 FIEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C2 ZINC001143437551 1084675707 /nfs/dbraw/zinc/67/57/07/1084675707.db2.gz ZDFLWXZPZLYEJH-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C2 ZINC001143437551 1084675709 /nfs/dbraw/zinc/67/57/09/1084675709.db2.gz ZDFLWXZPZLYEJH-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127685620 1085028067 /nfs/dbraw/zinc/02/80/67/1085028067.db2.gz FLAYPRDTCINSOV-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127685620 1085028072 /nfs/dbraw/zinc/02/80/72/1085028072.db2.gz FLAYPRDTCINSOV-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000661379685 1085542557 /nfs/dbraw/zinc/54/25/57/1085542557.db2.gz GMOSNLQOAJPOOW-CYBMUJFWSA-N 1 2 355.463 4.445 20 30 FIEDLO Cc1[nH]c(-c2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)[nH+]c1C ZINC000728518092 1085547592 /nfs/dbraw/zinc/54/75/92/1085547592.db2.gz QANSKGMOMYPBCH-UHFFFAOYSA-N 1 2 362.458 4.296 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000662078789 1086101178 /nfs/dbraw/zinc/10/11/78/1086101178.db2.gz GRSXQSNRXFUHHV-KFWWJZLASA-N 1 2 363.299 4.268 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000662078789 1086101181 /nfs/dbraw/zinc/10/11/81/1086101181.db2.gz GRSXQSNRXFUHHV-KFWWJZLASA-N 1 2 363.299 4.268 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000662083759 1086107711 /nfs/dbraw/zinc/10/77/11/1086107711.db2.gz JRGJYSALVVZYGN-IYBDPMFKSA-N 1 2 374.282 4.106 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000662083759 1086107726 /nfs/dbraw/zinc/10/77/26/1086107726.db2.gz JRGJYSALVVZYGN-IYBDPMFKSA-N 1 2 374.282 4.106 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562222 1086555924 /nfs/dbraw/zinc/55/59/24/1086555924.db2.gz IVTGTGBPYIVOAN-QGZVFWFLSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728562222 1086555930 /nfs/dbraw/zinc/55/59/30/1086555930.db2.gz IVTGTGBPYIVOAN-QGZVFWFLSA-N 1 2 358.486 4.238 20 30 FIEDLO N#Cc1c(Cl)nsc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000052473623 1086861554 /nfs/dbraw/zinc/86/15/54/1086861554.db2.gz NTBZTIMGSKNPSW-UHFFFAOYSA-N 1 2 368.840 4.023 20 30 FIEDLO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000583819986 1086978376 /nfs/dbraw/zinc/97/83/76/1086978376.db2.gz KSNMWGQVMXCDSX-UHFFFAOYSA-N 1 2 359.220 4.015 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H](C)COC ZINC000661244850 1086982164 /nfs/dbraw/zinc/98/21/64/1086982164.db2.gz YVLRPFAOZBWQSN-SNVBAGLBSA-N 1 2 365.688 4.108 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H](C)COC ZINC000661244850 1086982167 /nfs/dbraw/zinc/98/21/67/1086982167.db2.gz YVLRPFAOZBWQSN-SNVBAGLBSA-N 1 2 365.688 4.108 20 30 FIEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)Cc2ccccc21 ZINC000536181125 1087081798 /nfs/dbraw/zinc/08/17/98/1087081798.db2.gz UZVAFJYFCFDDIU-UHFFFAOYSA-N 1 2 365.502 4.034 20 30 FIEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)Cc2ccccc21 ZINC000536181125 1087081803 /nfs/dbraw/zinc/08/18/03/1087081803.db2.gz UZVAFJYFCFDDIU-UHFFFAOYSA-N 1 2 365.502 4.034 20 30 FIEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000584347580 1087276290 /nfs/dbraw/zinc/27/62/90/1087276290.db2.gz ZOQKYZVFSWOTMT-INIZCTEOSA-N 1 2 350.466 4.459 20 30 FIEDLO N#CCCCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000588283793 1088500456 /nfs/dbraw/zinc/50/04/56/1088500456.db2.gz ORNPJCACRIZSAV-KRWDZBQOSA-N 1 2 365.880 4.206 20 30 FIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425149043 1088955504 /nfs/dbraw/zinc/95/55/04/1088955504.db2.gz VHHKCXLIDLRDFU-NRFANRHFSA-N 1 2 372.472 4.242 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(C#N)c1C ZINC000434714844 1088958058 /nfs/dbraw/zinc/95/80/58/1088958058.db2.gz TYIJROSCDUALNF-MRXNPFEDSA-N 1 2 371.868 4.067 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(C#N)c1C ZINC000434714844 1088958062 /nfs/dbraw/zinc/95/80/62/1088958062.db2.gz TYIJROSCDUALNF-MRXNPFEDSA-N 1 2 371.868 4.067 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000664444250 1089008660 /nfs/dbraw/zinc/00/86/60/1089008660.db2.gz JIXPRGGYUCMLLB-RRQGHBQHSA-N 1 2 360.527 4.090 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000664444250 1089008683 /nfs/dbraw/zinc/00/86/83/1089008683.db2.gz JIXPRGGYUCMLLB-RRQGHBQHSA-N 1 2 360.527 4.090 20 30 FIEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670285 1089035859 /nfs/dbraw/zinc/03/58/59/1089035859.db2.gz QVFVFKUEUHRYEY-YOEHRIQHSA-N 1 2 371.308 4.114 20 30 FIEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670285 1089035863 /nfs/dbraw/zinc/03/58/63/1089035863.db2.gz QVFVFKUEUHRYEY-YOEHRIQHSA-N 1 2 371.308 4.114 20 30 FIEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435078852 1089268891 /nfs/dbraw/zinc/26/88/91/1089268891.db2.gz JZJDBTPJYWNTEJ-UHFFFAOYSA-N 1 2 370.456 4.221 20 30 FIEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435078852 1089268907 /nfs/dbraw/zinc/26/89/07/1089268907.db2.gz JZJDBTPJYWNTEJ-UHFFFAOYSA-N 1 2 370.456 4.221 20 30 FIEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435155220 1089333439 /nfs/dbraw/zinc/33/34/39/1089333439.db2.gz YWXMWBFMSIPONL-UHFFFAOYSA-N 1 2 370.456 4.221 20 30 FIEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435155220 1089333461 /nfs/dbraw/zinc/33/34/61/1089333461.db2.gz YWXMWBFMSIPONL-UHFFFAOYSA-N 1 2 370.456 4.221 20 30 FIEDLO Cc1cccc([C@@H](CNc2cccc(C(F)F)c2C#N)[NH+]2CCOCC2)c1 ZINC000514896047 1089583461 /nfs/dbraw/zinc/58/34/61/1089583461.db2.gz WZQNDAREPAKAQQ-HXUWFJFHSA-N 1 2 371.431 4.290 20 30 FIEDLO C=CCC[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000187848562 1090064513 /nfs/dbraw/zinc/06/45/13/1090064513.db2.gz QKMUFPMCFRKBSY-JOCHJYFZSA-N 1 2 364.489 4.207 20 30 FIEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278822912 1090092900 /nfs/dbraw/zinc/09/29/00/1090092900.db2.gz ITBUAXFFEAWBBP-IBGZPJMESA-N 1 2 359.473 4.081 20 30 FIEDLO C=CCc1cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc(OC)c1O ZINC000278825970 1090447395 /nfs/dbraw/zinc/44/73/95/1090447395.db2.gz ULMUAXKXTMGKMR-SNVBAGLBSA-N 1 2 372.412 4.455 20 30 FIEDLO C=CC[C@@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000188166726 1091327448 /nfs/dbraw/zinc/32/74/48/1091327448.db2.gz FZXCCDRYKZJUSD-OAQYLSRUSA-N 1 2 364.489 4.126 20 30 FIEDLO CCOc1ccc(CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000572054532 1091840616 /nfs/dbraw/zinc/84/06/16/1091840616.db2.gz JBJLSZZEWUJZTP-UHFFFAOYSA-N 1 2 355.507 4.258 20 30 FIEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(OC)c1OCc1ccccc1 ZINC000093090942 1092245755 /nfs/dbraw/zinc/24/57/55/1092245755.db2.gz PVUMQMLJVWQIMF-INIZCTEOSA-N 1 2 354.450 4.017 20 30 FIEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(OC)c1OCc1ccccc1 ZINC000093090942 1092245767 /nfs/dbraw/zinc/24/57/67/1092245767.db2.gz PVUMQMLJVWQIMF-INIZCTEOSA-N 1 2 354.450 4.017 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccs1 ZINC000019540467 1092436965 /nfs/dbraw/zinc/43/69/65/1092436965.db2.gz SLSUWPBVLGSXNU-UHFFFAOYSA-N 1 2 365.296 4.137 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccs1 ZINC000019540467 1092436971 /nfs/dbraw/zinc/43/69/71/1092436971.db2.gz SLSUWPBVLGSXNU-UHFFFAOYSA-N 1 2 365.296 4.137 20 30 FIEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000187439669 1092525683 /nfs/dbraw/zinc/52/56/83/1092525683.db2.gz GFAGZQQTXSOLHW-YYWHXJBOSA-N 1 2 370.443 4.186 20 30 FIEDLO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000187439669 1092525691 /nfs/dbraw/zinc/52/56/91/1092525691.db2.gz GFAGZQQTXSOLHW-YYWHXJBOSA-N 1 2 370.443 4.186 20 30 FIEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000521457423 1092696682 /nfs/dbraw/zinc/69/66/82/1092696682.db2.gz SKHIDEVIDATXQV-CQSZACIVSA-N 1 2 357.841 4.353 20 30 FIEDLO N#Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000136937831 1092741549 /nfs/dbraw/zinc/74/15/49/1092741549.db2.gz NRLVDHIMKJWOLL-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474105885 1093317169 /nfs/dbraw/zinc/31/71/69/1093317169.db2.gz NUYGGAJHHIWXPS-UHFFFAOYSA-N 1 2 351.166 4.083 20 30 FIEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474105885 1093317180 /nfs/dbraw/zinc/31/71/80/1093317180.db2.gz NUYGGAJHHIWXPS-UHFFFAOYSA-N 1 2 351.166 4.083 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433199437 1093405217 /nfs/dbraw/zinc/40/52/17/1093405217.db2.gz LKQCVMQAHNLXPY-HNNXBMFYSA-N 1 2 359.470 4.291 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433199437 1093405225 /nfs/dbraw/zinc/40/52/25/1093405225.db2.gz LKQCVMQAHNLXPY-HNNXBMFYSA-N 1 2 359.470 4.291 20 30 FIEDLO CC[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H](C)C#N ZINC000474146467 1093455113 /nfs/dbraw/zinc/45/51/13/1093455113.db2.gz WMEMOLDDGGXIAK-SNVBAGLBSA-N 1 2 365.193 4.329 20 30 FIEDLO CC[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H](C)C#N ZINC000474146467 1093455119 /nfs/dbraw/zinc/45/51/19/1093455119.db2.gz WMEMOLDDGGXIAK-SNVBAGLBSA-N 1 2 365.193 4.329 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000025438839 1093777276 /nfs/dbraw/zinc/77/72/76/1093777276.db2.gz CLFJGXHJNILZDS-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000025438839 1093777279 /nfs/dbraw/zinc/77/72/79/1093777279.db2.gz CLFJGXHJNILZDS-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cnc3c(F)cc(F)cc32)c1C ZINC000433782258 1094095726 /nfs/dbraw/zinc/09/57/26/1094095726.db2.gz ZTSOSRHDNZPYBA-UHFFFAOYSA-N 1 2 368.387 4.042 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000404926538 1094357521 /nfs/dbraw/zinc/35/75/21/1094357521.db2.gz PJMDAJJAJRVCLZ-LLVKDONJSA-N 1 2 374.653 4.070 20 30 FIEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000404926538 1094357531 /nfs/dbraw/zinc/35/75/31/1094357531.db2.gz PJMDAJJAJRVCLZ-LLVKDONJSA-N 1 2 374.653 4.070 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329302639 1094827509 /nfs/dbraw/zinc/82/75/09/1094827509.db2.gz WYEIDXVNWNYKRG-IEBWSBKVSA-N 1 2 368.456 4.278 20 30 FIEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329441624 1094910163 /nfs/dbraw/zinc/91/01/63/1094910163.db2.gz NCRGPBOCWPKAKZ-UMSONDCASA-N 1 2 366.509 4.010 20 30 FIEDLO O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329476029 1094926345 /nfs/dbraw/zinc/92/63/45/1094926345.db2.gz UABVTEKSPPMJJC-UHFFFAOYSA-N 1 2 370.472 4.369 20 30 FIEDLO Cc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C)[nH+]1 ZINC000421061983 1095289260 /nfs/dbraw/zinc/28/92/60/1095289260.db2.gz MCDPXRPMTFIBJI-ZDUSSCGKSA-N 1 2 354.479 4.272 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCc2ccccc2C1 ZINC000330238182 1095429075 /nfs/dbraw/zinc/42/90/75/1095429075.db2.gz HVAGIWJQRLFNNN-UHFFFAOYSA-N 1 2 372.472 4.490 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1C ZINC000502509242 1095524473 /nfs/dbraw/zinc/52/44/73/1095524473.db2.gz UJENZGUVDNECHK-UHFFFAOYSA-N 1 2 365.502 4.273 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1C ZINC000502509242 1095524483 /nfs/dbraw/zinc/52/44/83/1095524483.db2.gz UJENZGUVDNECHK-UHFFFAOYSA-N 1 2 365.502 4.273 20 30 FIEDLO COc1cc(C[N@H+](Cc2ccccc2C#N)C2CC2)ccc1OC(F)F ZINC000016424243 1095655417 /nfs/dbraw/zinc/65/54/17/1095655417.db2.gz OOCFJRBXLBPEQI-UHFFFAOYSA-N 1 2 358.388 4.333 20 30 FIEDLO COc1cc(C[N@@H+](Cc2ccccc2C#N)C2CC2)ccc1OC(F)F ZINC000016424243 1095655421 /nfs/dbraw/zinc/65/54/21/1095655421.db2.gz OOCFJRBXLBPEQI-UHFFFAOYSA-N 1 2 358.388 4.333 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000532903354 1098578709 /nfs/dbraw/zinc/57/87/09/1098578709.db2.gz WCSYODCUDFJAAL-HNNXBMFYSA-N 1 2 371.481 4.148 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000532903354 1098578716 /nfs/dbraw/zinc/57/87/16/1098578716.db2.gz WCSYODCUDFJAAL-HNNXBMFYSA-N 1 2 371.481 4.148 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065316 1098734660 /nfs/dbraw/zinc/73/46/60/1098734660.db2.gz HCLWEJWDPUCFOG-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065316 1098734669 /nfs/dbraw/zinc/73/46/69/1098734669.db2.gz HCLWEJWDPUCFOG-FQEVSTJZSA-N 1 2 360.461 4.181 20 30 FIEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccccc3F)CC2)c(C#N)c1C ZINC000533300606 1098953089 /nfs/dbraw/zinc/95/30/89/1098953089.db2.gz GNYSMOBGCFCIDC-UHFFFAOYSA-N 1 2 371.481 4.194 20 30 FIEDLO N#CCCN(CC1CC1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425675017 1099517334 /nfs/dbraw/zinc/51/73/34/1099517334.db2.gz PVLUOQBVUBETMV-UHFFFAOYSA-N 1 2 363.465 4.044 20 30 FIEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccs1 ZINC000016586912 1099783570 /nfs/dbraw/zinc/78/35/70/1099783570.db2.gz RTNOKNKMLMOFOX-UHFFFAOYSA-N 1 2 359.520 4.021 20 30 FIEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccs1 ZINC000016586912 1099783580 /nfs/dbraw/zinc/78/35/80/1099783580.db2.gz RTNOKNKMLMOFOX-UHFFFAOYSA-N 1 2 359.520 4.021 20 30 FIEDLO COc1ccc(-n2c3ccccc3nc2C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506026658 1099804553 /nfs/dbraw/zinc/80/45/53/1099804553.db2.gz HZUQGOHAUYUGCP-UHFFFAOYSA-N 1 2 360.461 4.160 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506030066 1099817562 /nfs/dbraw/zinc/81/75/62/1099817562.db2.gz FREURHNKYHJEQR-QGZVFWFLSA-N 1 2 363.461 4.432 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](CCC#N)C(C)C)c2)cc1 ZINC000536646014 1100117085 /nfs/dbraw/zinc/11/70/85/1100117085.db2.gz HIJHEMKEVVTSRB-UHFFFAOYSA-N 1 2 351.450 4.072 20 30 FIEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](CCC#N)C(C)C)c2)cc1 ZINC000536646014 1100117094 /nfs/dbraw/zinc/11/70/94/1100117094.db2.gz HIJHEMKEVVTSRB-UHFFFAOYSA-N 1 2 351.450 4.072 20 30 FIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506122724 1100167724 /nfs/dbraw/zinc/16/77/24/1100167724.db2.gz NEZUKTFFSFQACK-UHFFFAOYSA-N 1 2 373.456 4.224 20 30 FIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506122724 1100167731 /nfs/dbraw/zinc/16/77/31/1100167731.db2.gz NEZUKTFFSFQACK-UHFFFAOYSA-N 1 2 373.456 4.224 20 30 FIEDLO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OCC ZINC000459465722 1100208955 /nfs/dbraw/zinc/20/89/55/1100208955.db2.gz JDMZWULVQPYSHM-CQSZACIVSA-N 1 2 369.421 4.115 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000426393598 1101465579 /nfs/dbraw/zinc/46/55/79/1101465579.db2.gz GDPUPEUSNARSPF-IBGZPJMESA-N 1 2 363.379 4.331 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000426393598 1101465586 /nfs/dbraw/zinc/46/55/86/1101465586.db2.gz GDPUPEUSNARSPF-IBGZPJMESA-N 1 2 363.379 4.331 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000182086491 1101597604 /nfs/dbraw/zinc/59/76/04/1101597604.db2.gz UHOCSUDKNOSJLV-GAJHUEQPSA-N 1 2 373.456 4.433 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000537635003 1102338501 /nfs/dbraw/zinc/33/85/01/1102338501.db2.gz MTEBWXQGLURVHC-LJQANCHMSA-N 1 2 361.461 4.167 20 30 FIEDLO CCOc1cc(F)c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c(F)c1 ZINC001143576054 1102776401 /nfs/dbraw/zinc/77/64/01/1102776401.db2.gz VHODIQCVARMQFL-UHFFFAOYSA-N 1 2 372.415 4.279 20 30 FIEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760542460 1102969558 /nfs/dbraw/zinc/96/95/58/1102969558.db2.gz SUDLCGCPNOPPOQ-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760542460 1102969561 /nfs/dbraw/zinc/96/95/61/1102969561.db2.gz SUDLCGCPNOPPOQ-UHFFFAOYSA-N 1 2 372.538 4.355 20 30 FIEDLO N#Cc1ccccc1OCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000551360213 1103136005 /nfs/dbraw/zinc/13/60/05/1103136005.db2.gz YVNZOEFPRQHRGJ-UHFFFAOYSA-N 1 2 359.429 4.216 20 30 FIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000441361701 1104297430 /nfs/dbraw/zinc/29/74/30/1104297430.db2.gz XQJJNBKNYBXKTM-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO CCCc1csc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328638093 1104522998 /nfs/dbraw/zinc/52/29/98/1104522998.db2.gz BHLWWJGMYVFJRY-CQSZACIVSA-N 1 2 373.526 4.054 20 30 FIEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000328696071 1104539142 /nfs/dbraw/zinc/53/91/42/1104539142.db2.gz KRMHHPPIYINQLT-BLLLJJGKSA-N 1 2 370.478 4.217 20 30 FIEDLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000328700079 1104540411 /nfs/dbraw/zinc/54/04/11/1104540411.db2.gz MNMMOPMHHLSGPQ-HNNXBMFYSA-N 1 2 352.482 4.143 20 30 FIEDLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CCC2 ZINC000328933628 1104594214 /nfs/dbraw/zinc/59/42/14/1104594214.db2.gz PTSKRJWMILZXMQ-AZUAARDMSA-N 1 2 366.509 4.324 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943399 1104595627 /nfs/dbraw/zinc/59/56/27/1104595627.db2.gz AKNWLIWTONRICA-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943399 1104595635 /nfs/dbraw/zinc/59/56/35/1104595635.db2.gz AKNWLIWTONRICA-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO C=CCC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000441545187 1104979348 /nfs/dbraw/zinc/97/93/48/1104979348.db2.gz QVUCGYSUIGBMSD-MRXNPFEDSA-N 1 2 351.372 4.116 20 30 FIEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000475426592 1106866827 /nfs/dbraw/zinc/86/68/27/1106866827.db2.gz BXSXWWKGBGDCOJ-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO CN(Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C#N)c1)CC(C)(C)C#N ZINC000451061678 1106913560 /nfs/dbraw/zinc/91/35/60/1106913560.db2.gz ILQDQPWJRQBOTN-UHFFFAOYSA-N 1 2 360.933 4.303 20 30 FIEDLO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C#N)c1)CC(C)(C)C#N ZINC000451061678 1106913562 /nfs/dbraw/zinc/91/35/62/1106913562.db2.gz ILQDQPWJRQBOTN-UHFFFAOYSA-N 1 2 360.933 4.303 20 30 FIEDLO N#Cc1ccc(C(F)(F)F)c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000121357557 1107476825 /nfs/dbraw/zinc/47/68/25/1107476825.db2.gz NTOQMFZVCRQRLZ-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000444679429 1108082220 /nfs/dbraw/zinc/08/22/20/1108082220.db2.gz UVXMXBYBUPDCRA-LBPRGKRZSA-N 1 2 356.376 4.162 20 30 FIEDLO C=CC[C@@H]1N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1(C)C ZINC000444879001 1108254516 /nfs/dbraw/zinc/25/45/16/1108254516.db2.gz RNFLKSHMYUBKGL-IBGZPJMESA-N 1 2 370.541 4.348 20 30 FIEDLO N#Cc1ccccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475643465 1109286943 /nfs/dbraw/zinc/28/69/43/1109286943.db2.gz VVILCDRYKYJDDP-INIZCTEOSA-N 1 2 354.759 4.054 20 30 FIEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000508586831 1109456176 /nfs/dbraw/zinc/45/61/76/1109456176.db2.gz HNWSPKBLRCDKNB-UHFFFAOYSA-N 1 2 373.500 4.249 20 30 FIEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447391400 1109532216 /nfs/dbraw/zinc/53/22/16/1109532216.db2.gz JQEJTUKICWLVNQ-KRWDZBQOSA-N 1 2 368.308 4.017 20 30 FIEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(OCc2cccnc2)c1 ZINC000447748166 1109636992 /nfs/dbraw/zinc/63/69/92/1109636992.db2.gz WMTOIJUMOVJBJX-UHFFFAOYSA-N 1 2 367.493 4.431 20 30 FIEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(OCc2cccnc2)c1 ZINC000447748166 1109636994 /nfs/dbraw/zinc/63/69/94/1109636994.db2.gz WMTOIJUMOVJBJX-UHFFFAOYSA-N 1 2 367.493 4.431 20 30 FIEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000448331117 1109773783 /nfs/dbraw/zinc/77/37/83/1109773783.db2.gz HCZXHDQSYXQUFZ-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO N#CCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000529468437 1110273983 /nfs/dbraw/zinc/27/39/83/1110273983.db2.gz OBLIFBVJJPKIOM-IBGZPJMESA-N 1 2 353.853 4.009 20 30 FIEDLO N#CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000529468437 1110273986 /nfs/dbraw/zinc/27/39/86/1110273986.db2.gz OBLIFBVJJPKIOM-IBGZPJMESA-N 1 2 353.853 4.009 20 30 FIEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785408 1111298338 /nfs/dbraw/zinc/29/83/38/1111298338.db2.gz QDSBERXEWOCBQL-UONOGXRCSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785408 1111298343 /nfs/dbraw/zinc/29/83/43/1111298343.db2.gz QDSBERXEWOCBQL-UONOGXRCSA-N 1 2 362.408 4.255 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1OC ZINC000477981769 1111629612 /nfs/dbraw/zinc/62/96/12/1111629612.db2.gz GVOMPTCFJKHXFS-UHFFFAOYSA-N 1 2 363.417 4.211 20 30 FIEDLO Cn1ccc([C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1 ZINC000553002655 1111879376 /nfs/dbraw/zinc/87/93/76/1111879376.db2.gz BZRDJYHILDIBDG-UNMCSNQZSA-N 1 2 360.436 4.187 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccccc1C ZINC000553892291 1112119913 /nfs/dbraw/zinc/11/99/13/1112119913.db2.gz MBWDFYHWBCMSJC-OAHLLOKOSA-N 1 2 362.926 4.403 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccccc1C ZINC000553892291 1112119914 /nfs/dbraw/zinc/11/99/14/1112119914.db2.gz MBWDFYHWBCMSJC-OAHLLOKOSA-N 1 2 362.926 4.403 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479812848 1112149253 /nfs/dbraw/zinc/14/92/53/1112149253.db2.gz PPWVDOPCXJCMBY-RBUKOAKNSA-N 1 2 365.468 4.098 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479812848 1112149254 /nfs/dbraw/zinc/14/92/54/1112149254.db2.gz PPWVDOPCXJCMBY-RBUKOAKNSA-N 1 2 365.468 4.098 20 30 FIEDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000480683850 1112551769 /nfs/dbraw/zinc/55/17/69/1112551769.db2.gz SDJKVJNMBNPRHJ-XCLFUZPHSA-N 1 2 352.388 4.010 20 30 FIEDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000480683849 1112551804 /nfs/dbraw/zinc/55/18/04/1112551804.db2.gz SDJKVJNMBNPRHJ-RNODOKPDSA-N 1 2 352.388 4.010 20 30 FIEDLO C#CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1Br)c1ccccc1 ZINC000760635088 1114086470 /nfs/dbraw/zinc/08/64/70/1114086470.db2.gz YYRWHBDPRBPAMB-HNNXBMFYSA-N 1 2 360.251 4.018 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000489490549 1114121953 /nfs/dbraw/zinc/12/19/53/1114121953.db2.gz BGHURPDVEIHQJX-NVXWUHKLSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000489490549 1114121956 /nfs/dbraw/zinc/12/19/56/1114121956.db2.gz BGHURPDVEIHQJX-NVXWUHKLSA-N 1 2 369.490 4.059 20 30 FIEDLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(F)cc4C#N)CC3)c2c1 ZINC000489597438 1114141340 /nfs/dbraw/zinc/14/13/40/1114141340.db2.gz PBHKGUSICUBOJM-UHFFFAOYSA-N 1 2 361.420 4.477 20 30 FIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(F)cc4C#N)CC3)c2c1 ZINC000489597438 1114141341 /nfs/dbraw/zinc/14/13/41/1114141341.db2.gz PBHKGUSICUBOJM-UHFFFAOYSA-N 1 2 361.420 4.477 20 30 FIEDLO CCC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033054 1114205744 /nfs/dbraw/zinc/20/57/44/1114205744.db2.gz PBWSBYQCEXAVMC-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033054 1114205745 /nfs/dbraw/zinc/20/57/45/1114205745.db2.gz PBWSBYQCEXAVMC-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000572479992 1114648315 /nfs/dbraw/zinc/64/83/15/1114648315.db2.gz VMOLJQQKEJDUNH-GFCCVEGCSA-N 1 2 354.281 4.336 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1cscn1 ZINC000594711427 1115478387 /nfs/dbraw/zinc/47/83/87/1115478387.db2.gz NHLGCNMMCLUJTJ-NEPJUHHUSA-N 1 2 374.535 4.023 20 30 FIEDLO N#CCCn1cc(CNc2c[nH+]cc3c2CCCC3)c(-c2ccccc2)n1 ZINC000594741965 1115481865 /nfs/dbraw/zinc/48/18/65/1115481865.db2.gz HDICZCDGKVXEJG-UHFFFAOYSA-N 1 2 357.461 4.350 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610946 1115552875 /nfs/dbraw/zinc/55/28/75/1115552875.db2.gz DPIOAXQDGLAYFQ-RYUDHWBXSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610946 1115552878 /nfs/dbraw/zinc/55/28/78/1115552878.db2.gz DPIOAXQDGLAYFQ-RYUDHWBXSA-N 1 2 373.806 4.311 20 30 FIEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000595673447 1115556425 /nfs/dbraw/zinc/55/64/25/1115556425.db2.gz DXALFOORTUDCBW-OAQYLSRUSA-N 1 2 363.461 4.144 20 30 FIEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1)c1ccccc1 ZINC000595673447 1115556429 /nfs/dbraw/zinc/55/64/29/1115556429.db2.gz DXALFOORTUDCBW-OAQYLSRUSA-N 1 2 363.461 4.144 20 30 FIEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc(F)cc1 ZINC000597231698 1115649907 /nfs/dbraw/zinc/64/99/07/1115649907.db2.gz ZYTQHXQZHMTIKQ-OAQYLSRUSA-N 1 2 354.425 4.149 20 30 FIEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc(F)cc1 ZINC000597231698 1115649909 /nfs/dbraw/zinc/64/99/09/1115649909.db2.gz ZYTQHXQZHMTIKQ-OAQYLSRUSA-N 1 2 354.425 4.149 20 30 FIEDLO COc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F ZINC000669707635 1115839222 /nfs/dbraw/zinc/83/92/22/1115839222.db2.gz WSJRNNTYNPCXNU-QWRGUYRKSA-N 1 2 359.285 4.397 20 30 FIEDLO Cc1cc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)ccc1F ZINC000594032470 1115967179 /nfs/dbraw/zinc/96/71/79/1115967179.db2.gz UFCDGNIBCBQVBD-UHFFFAOYSA-N 1 2 362.408 4.225 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000173483674 1116071244 /nfs/dbraw/zinc/07/12/44/1116071244.db2.gz VFQVHTNQNMQXMB-LSDHHAIUSA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000173483674 1116071246 /nfs/dbraw/zinc/07/12/46/1116071246.db2.gz VFQVHTNQNMQXMB-LSDHHAIUSA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccc(C)cc1 ZINC000534499140 1116207807 /nfs/dbraw/zinc/20/78/07/1116207807.db2.gz YOBNDWNOBRPNQU-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)C1=O ZINC000539710699 1116368755 /nfs/dbraw/zinc/36/87/55/1116368755.db2.gz WUHFOLMEIDKUKQ-VQTJNVASSA-N 1 2 372.871 4.253 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000462905385 1117840599 /nfs/dbraw/zinc/84/05/99/1117840599.db2.gz YIMIMCMTPPONQE-HXUWFJFHSA-N 1 2 370.447 4.122 20 30 FIEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000462901433 1117849016 /nfs/dbraw/zinc/84/90/16/1117849016.db2.gz VRBKRPHYFPBGHL-OAHLLOKOSA-N 1 2 370.294 4.204 20 30 FIEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541318440 1118474932 /nfs/dbraw/zinc/47/49/32/1118474932.db2.gz LKEDPLYUCUKLCS-ACJLOTCBSA-N 1 2 363.288 4.363 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000609131076 1118518384 /nfs/dbraw/zinc/51/83/84/1118518384.db2.gz HJXPXPDBIBDIPC-IBGZPJMESA-N 1 2 372.428 4.024 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)ccc1F ZINC000541690295 1118607350 /nfs/dbraw/zinc/60/73/50/1118607350.db2.gz OBLZQEHLLUYKCX-CQSZACIVSA-N 1 2 353.372 4.026 20 30 FIEDLO N#CC1(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCCCC1 ZINC000464736443 1118669151 /nfs/dbraw/zinc/66/91/51/1118669151.db2.gz MKFXEEHINCDHQP-JOCHJYFZSA-N 1 2 373.500 4.129 20 30 FIEDLO N#CC1(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CCCCC1 ZINC000464736443 1118669154 /nfs/dbraw/zinc/66/91/54/1118669154.db2.gz MKFXEEHINCDHQP-JOCHJYFZSA-N 1 2 373.500 4.129 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCCC)CC1 ZINC000464852507 1118723977 /nfs/dbraw/zinc/72/39/77/1118723977.db2.gz OBOHJPPILFKIJD-UHFFFAOYSA-N 1 2 362.539 4.184 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCO2)c1 ZINC000761758043 1120345480 /nfs/dbraw/zinc/34/54/80/1120345480.db2.gz POGZGDZWUUOOJF-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCO2)c1 ZINC000761758043 1120345485 /nfs/dbraw/zinc/34/54/85/1120345485.db2.gz POGZGDZWUUOOJF-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000027220223 1120733985 /nfs/dbraw/zinc/73/39/85/1120733985.db2.gz PKGWDKHLKYDYNO-OAQYLSRUSA-N 1 2 370.518 4.012 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000027220223 1120733991 /nfs/dbraw/zinc/73/39/91/1120733991.db2.gz PKGWDKHLKYDYNO-OAQYLSRUSA-N 1 2 370.518 4.012 20 30 FIEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000303606330 1120777403 /nfs/dbraw/zinc/77/74/03/1120777403.db2.gz KQPFXKDXAOUJLH-UHFFFAOYSA-N 1 2 354.498 4.094 20 30 FIEDLO COc1ccc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N ZINC000153311395 1121098540 /nfs/dbraw/zinc/09/85/40/1121098540.db2.gz KLWOLSRNVVPLAA-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO N#Cc1ccc(Oc2cccc(Nc3ccc[nH+]c3N3CCOCC3)c2)cc1 ZINC001212368468 1121382828 /nfs/dbraw/zinc/38/28/28/1121382828.db2.gz DSZTYLUFHQIQLB-UHFFFAOYSA-N 1 2 372.428 4.326 20 30 FIEDLO Cc1ccc([C@H](C/N=C\c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000917557206 1122361219 /nfs/dbraw/zinc/36/12/19/1122361219.db2.gz ARBAIOBCIHEGPV-NAZSJVEXSA-N 1 2 374.484 4.346 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000917617696 1122379873 /nfs/dbraw/zinc/37/98/73/1122379873.db2.gz PZLYVXMIPWNHSU-SFHVURJKSA-N 1 2 372.513 4.281 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000917617696 1122379875 /nfs/dbraw/zinc/37/98/75/1122379875.db2.gz PZLYVXMIPWNHSU-SFHVURJKSA-N 1 2 372.513 4.281 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000129113776 1122537564 /nfs/dbraw/zinc/53/75/64/1122537564.db2.gz AQYOXYGAZXASMB-MSOLQXFVSA-N 1 2 354.519 4.313 20 30 FIEDLO COc1ccc(C#N)cc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000556288557 1122786527 /nfs/dbraw/zinc/78/65/27/1122786527.db2.gz UWXRGFZHFDDLPY-UHFFFAOYSA-N 1 2 359.429 4.346 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000615227673 1122855995 /nfs/dbraw/zinc/85/59/95/1122855995.db2.gz CFKCFVSFGSYOEQ-GHMZBOCLSA-N 1 2 356.697 4.384 20 30 FIEDLO COc1ccc(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000194961446 1123054517 /nfs/dbraw/zinc/05/45/17/1123054517.db2.gz UZFKEMTXKMWKSC-UHFFFAOYSA-N 1 2 359.429 4.386 20 30 FIEDLO COc1ccc(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000194961446 1123054519 /nfs/dbraw/zinc/05/45/19/1123054519.db2.gz UZFKEMTXKMWKSC-UHFFFAOYSA-N 1 2 359.429 4.386 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000499052624 1123174847 /nfs/dbraw/zinc/17/48/47/1123174847.db2.gz JNIZCZNAPPVCNF-ZDUSSCGKSA-N 1 2 364.898 4.425 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000499052624 1123174849 /nfs/dbraw/zinc/17/48/49/1123174849.db2.gz JNIZCZNAPPVCNF-ZDUSSCGKSA-N 1 2 364.898 4.425 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H](c2ccco2)C1 ZINC000072905456 1123175601 /nfs/dbraw/zinc/17/56/01/1123175601.db2.gz LJSPIEGBKWNIGO-WBVHZDCISA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H](c2ccco2)C1 ZINC000072905456 1123175606 /nfs/dbraw/zinc/17/56/06/1123175606.db2.gz LJSPIEGBKWNIGO-WBVHZDCISA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H](c2ccco2)C1 ZINC000072905459 1123175875 /nfs/dbraw/zinc/17/58/75/1123175875.db2.gz LJSPIEGBKWNIGO-RDJZCZTQSA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H](c2ccco2)C1 ZINC000072905459 1123175877 /nfs/dbraw/zinc/17/58/77/1123175877.db2.gz LJSPIEGBKWNIGO-RDJZCZTQSA-N 1 2 369.490 4.307 20 30 FIEDLO N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000609989286 1123916544 /nfs/dbraw/zinc/91/65/44/1123916544.db2.gz OSOYHWQYAWAOTI-UHFFFAOYSA-N 1 2 353.385 4.202 20 30 FIEDLO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301970393 1124274185 /nfs/dbraw/zinc/27/41/85/1124274185.db2.gz DHWSDXVDYPKAAU-STQMWFEESA-N 1 2 371.268 4.318 20 30 FIEDLO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301970393 1124274191 /nfs/dbraw/zinc/27/41/91/1124274191.db2.gz DHWSDXVDYPKAAU-STQMWFEESA-N 1 2 371.268 4.318 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000302119465 1124285005 /nfs/dbraw/zinc/28/50/05/1124285005.db2.gz SYYBAWOWKRJVAH-HNNXBMFYSA-N 1 2 367.880 4.297 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000554222137 1124299829 /nfs/dbraw/zinc/29/98/29/1124299829.db2.gz ZJOBDLAAPUIQTQ-UHFFFAOYSA-N 1 2 371.278 4.406 20 30 FIEDLO CC[N@H+](Cc1nc(CCc2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000075645754 1124911526 /nfs/dbraw/zinc/91/15/26/1124911526.db2.gz AFTPZDMUXNLXFQ-KRWDZBQOSA-N 1 2 360.461 4.310 20 30 FIEDLO CC[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000075645754 1124911530 /nfs/dbraw/zinc/91/15/30/1124911530.db2.gz AFTPZDMUXNLXFQ-KRWDZBQOSA-N 1 2 360.461 4.310 20 30 FIEDLO COc1cc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cs2)ccc1O ZINC000112338237 1124983996 /nfs/dbraw/zinc/98/39/96/1124983996.db2.gz ZFANZHCGEQPOGE-UHFFFAOYSA-N 1 2 365.458 4.028 20 30 FIEDLO COc1cc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cs2)ccc1O ZINC000112338237 1124984000 /nfs/dbraw/zinc/98/40/00/1124984000.db2.gz ZFANZHCGEQPOGE-UHFFFAOYSA-N 1 2 365.458 4.028 20 30 FIEDLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000542986931 1125176370 /nfs/dbraw/zinc/17/63/70/1125176370.db2.gz WYHPFKLCWSKWDL-HNNXBMFYSA-N 1 2 367.802 4.244 20 30 FIEDLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000542986931 1125176376 /nfs/dbraw/zinc/17/63/76/1125176376.db2.gz WYHPFKLCWSKWDL-HNNXBMFYSA-N 1 2 367.802 4.244 20 30 FIEDLO CC(C)C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)n1cc[nH+]c1 ZINC000602094634 567933010 /nfs/dbraw/zinc/93/30/10/567933010.db2.gz CPAGCMOUOLXRDY-NVXWUHKLSA-N 1 2 356.495 4.361 20 30 FIEDLO Cc1cc(N2CCSCC2)ccc1[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602491033 567986193 /nfs/dbraw/zinc/98/61/93/567986193.db2.gz NBSKKPOOOOAJDG-KRWDZBQOSA-N 1 2 359.539 4.059 20 30 FIEDLO Cc1ccc(C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)o1 ZINC000603851723 568165773 /nfs/dbraw/zinc/16/57/73/568165773.db2.gz XITPHXYROQKHEH-UHFFFAOYSA-N 1 2 365.477 4.116 20 30 FIEDLO Cc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)o1 ZINC000603851723 568165775 /nfs/dbraw/zinc/16/57/75/568165775.db2.gz XITPHXYROQKHEH-UHFFFAOYSA-N 1 2 365.477 4.116 20 30 FIEDLO CCCCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1[C@H](CC)[NH+](C)C ZINC000604056232 568207382 /nfs/dbraw/zinc/20/73/82/568207382.db2.gz VJUVBZGGODEQRW-MSOLQXFVSA-N 1 2 371.554 4.318 20 30 FIEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)c1ncc(Br)cn1 ZINC000569442484 568402392 /nfs/dbraw/zinc/40/23/92/568402392.db2.gz QSRNFEFRYZQALK-UWVGGRQHSA-N 1 2 365.662 4.176 20 30 FIEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000569774608 568423661 /nfs/dbraw/zinc/42/36/61/568423661.db2.gz QUOKGHAGMNVMNS-IBGZPJMESA-N 1 2 360.379 4.459 20 30 FIEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000569774608 568423662 /nfs/dbraw/zinc/42/36/62/568423662.db2.gz QUOKGHAGMNVMNS-IBGZPJMESA-N 1 2 360.379 4.459 20 30 FIEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000569774609 568423670 /nfs/dbraw/zinc/42/36/70/568423670.db2.gz QUOKGHAGMNVMNS-LJQANCHMSA-N 1 2 360.379 4.459 20 30 FIEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000569774609 568423671 /nfs/dbraw/zinc/42/36/71/568423671.db2.gz QUOKGHAGMNVMNS-LJQANCHMSA-N 1 2 360.379 4.459 20 30 FIEDLO CC(C)(c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)c1cc(F)cc(C#N)c1 ZINC000570007473 568449366 /nfs/dbraw/zinc/44/93/66/568449366.db2.gz QVZNXJUYAZVCSN-UHFFFAOYSA-N 1 2 373.391 4.259 20 30 FIEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC000543978140 1079539451 /nfs/dbraw/zinc/53/94/51/1079539451.db2.gz CBOUAYRYGLEBMM-UHFFFAOYSA-N 1 2 362.399 4.470 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748082668 1080124436 /nfs/dbraw/zinc/12/44/36/1080124436.db2.gz IDQFQIDXXJQTHX-QGZVFWFLSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748082668 1080124437 /nfs/dbraw/zinc/12/44/37/1080124437.db2.gz IDQFQIDXXJQTHX-QGZVFWFLSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2n1CC)Cc1ccc(OC)cc1 ZINC000116736765 1080555625 /nfs/dbraw/zinc/55/56/25/1080555625.db2.gz IZVZARUDSOZSSL-UHFFFAOYSA-N 1 2 353.441 4.392 20 30 FIEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2n1CC)Cc1ccc(OC)cc1 ZINC000116736765 1080555632 /nfs/dbraw/zinc/55/56/32/1080555632.db2.gz IZVZARUDSOZSSL-UHFFFAOYSA-N 1 2 353.441 4.392 20 30 FIEDLO COC[C@@H](C)N(Cc1cccc(OC)c1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001167119387 1080582779 /nfs/dbraw/zinc/58/27/79/1080582779.db2.gz PMMYIYWHQHGEBL-MRXNPFEDSA-N 1 2 361.445 4.157 20 30 FIEDLO O=C1/C(=C\c2cccc3nccn32)CCC/C1=C/c1cccc2[nH+]ccn21 ZINC000255179941 1081751406 /nfs/dbraw/zinc/75/14/06/1081751406.db2.gz HBSUTVRWEVGVEX-RYOQUFEFSA-N 1 2 354.413 4.202 20 30 FIEDLO O=C1/C(=C/c2cccc3nccn32)CCC/C1=C/c1cccc2[nH+]ccn21 ZINC000255179937 1081751623 /nfs/dbraw/zinc/75/16/23/1081751623.db2.gz HBSUTVRWEVGVEX-QUDUTFMFSA-N 1 2 354.413 4.202 20 30 FIEDLO O=C1/C(=C/c2cccc3[nH+]ccn32)CCC/C1=C/c1cccc2nccn21 ZINC000255179937 1081751628 /nfs/dbraw/zinc/75/16/28/1081751628.db2.gz HBSUTVRWEVGVEX-QUDUTFMFSA-N 1 2 354.413 4.202 20 30 FIEDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610413265 1081814693 /nfs/dbraw/zinc/81/46/93/1081814693.db2.gz KWOGXYDXAJQMDZ-AUUYWEPGSA-N 1 2 360.379 4.377 20 30 FIEDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610413265 1081814701 /nfs/dbraw/zinc/81/47/01/1081814701.db2.gz KWOGXYDXAJQMDZ-AUUYWEPGSA-N 1 2 360.379 4.377 20 30 FIEDLO CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000430597096 1082559676 /nfs/dbraw/zinc/55/96/76/1082559676.db2.gz YVZQFWXFURITDV-OAHLLOKOSA-N 1 2 350.447 4.116 20 30 FIEDLO Cc1cc2c(s1)N(c1cc(C#N)nc(C3CC3)n1)c1ccccc1NC2=[NH2+] ZINC001167463197 1082579373 /nfs/dbraw/zinc/57/93/73/1082579373.db2.gz FBNYCPPBHXQYBL-UHFFFAOYSA-N 1 2 372.457 4.416 20 30 FIEDLO Cn1cc(C[N@H+](Cc2cc(C#N)cs2)Cc2ccc(Cl)cc2)cn1 ZINC000430773326 1083165870 /nfs/dbraw/zinc/16/58/70/1083165870.db2.gz SIHSYFZPGDHVOY-UHFFFAOYSA-N 1 2 356.882 4.209 20 30 FIEDLO Cn1cc(C[N@@H+](Cc2cc(C#N)cs2)Cc2ccc(Cl)cc2)cn1 ZINC000430773326 1083165873 /nfs/dbraw/zinc/16/58/73/1083165873.db2.gz SIHSYFZPGDHVOY-UHFFFAOYSA-N 1 2 356.882 4.209 20 30 FIEDLO O=C1C[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)CN1Cc1ccccc1 ZINC000179366023 1083399878 /nfs/dbraw/zinc/39/98/78/1083399878.db2.gz LDSOELVGYOJCGT-MAKCPWPFSA-N 1 2 358.441 4.013 20 30 FIEDLO C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1n1cc[nH+]c1 ZINC000247576796 1083700156 /nfs/dbraw/zinc/70/01/56/1083700156.db2.gz LRIKLWLPRNYKKL-MLGOLLRUSA-N 1 2 369.831 4.183 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000612405868 1083779401 /nfs/dbraw/zinc/77/94/01/1083779401.db2.gz DKEIAZACRSYBHN-FQEVSTJZSA-N 1 2 356.491 4.461 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000612405868 1083779409 /nfs/dbraw/zinc/77/94/09/1083779409.db2.gz DKEIAZACRSYBHN-FQEVSTJZSA-N 1 2 356.491 4.461 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612405851 1083779749 /nfs/dbraw/zinc/77/97/49/1083779749.db2.gz DIJHQCHRHZTSFQ-KRWDZBQOSA-N 1 2 356.388 4.152 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612405851 1083779759 /nfs/dbraw/zinc/77/97/59/1083779759.db2.gz DIJHQCHRHZTSFQ-KRWDZBQOSA-N 1 2 356.388 4.152 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000612406125 1083779845 /nfs/dbraw/zinc/77/98/45/1083779845.db2.gz ITMFIZFIYCEGRN-QFIPXVFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCc1ccccc1 ZINC000612406125 1083779855 /nfs/dbraw/zinc/77/98/55/1083779855.db2.gz ITMFIZFIYCEGRN-QFIPXVFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C#N ZINC000610991386 1083932870 /nfs/dbraw/zinc/93/28/70/1083932870.db2.gz HPZPEWWIBDINTR-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C#N ZINC000610991386 1083932871 /nfs/dbraw/zinc/93/28/71/1083932871.db2.gz HPZPEWWIBDINTR-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO Cn1c[nH+]cc1CNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000647229725 1083958002 /nfs/dbraw/zinc/95/80/02/1083958002.db2.gz VKXNHDAAMGQHGK-UHFFFAOYSA-N 1 2 355.257 4.322 20 30 FIEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000728432144 1084066619 /nfs/dbraw/zinc/06/66/19/1084066619.db2.gz NHIFEQMGIUAACA-UHFFFAOYSA-N 1 2 364.424 4.047 20 30 FIEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccccc1-c1ccccc1C#N ZINC000376109651 1084176154 /nfs/dbraw/zinc/17/61/54/1084176154.db2.gz FIBHTWCAEDFSHO-UHFFFAOYSA-N 1 2 370.456 4.030 20 30 FIEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1C#N ZINC000511078366 1084667470 /nfs/dbraw/zinc/66/74/70/1084667470.db2.gz AANHJHBMXKIKRC-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1C#N ZINC000511078366 1084667473 /nfs/dbraw/zinc/66/74/73/1084667473.db2.gz AANHJHBMXKIKRC-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000478717631 1084993693 /nfs/dbraw/zinc/99/36/93/1084993693.db2.gz FLCIPKKWYSXXLH-UHFFFAOYSA-N 1 2 360.364 4.450 20 30 FIEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000472229937 1085108735 /nfs/dbraw/zinc/10/87/35/1085108735.db2.gz DGFQBVCIRIKGLE-HNNXBMFYSA-N 1 2 357.281 4.469 20 30 FIEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000472229937 1085108738 /nfs/dbraw/zinc/10/87/38/1085108738.db2.gz DGFQBVCIRIKGLE-HNNXBMFYSA-N 1 2 357.281 4.469 20 30 FIEDLO C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000479549844 1085210900 /nfs/dbraw/zinc/21/09/00/1085210900.db2.gz ALRVBZIZCWNQNA-QFYYESIMSA-N 1 2 353.224 4.388 20 30 FIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661413270 1085559149 /nfs/dbraw/zinc/55/91/49/1085559149.db2.gz CGSMYMDGCUZIIV-HOJAQTOUSA-N 1 2 366.509 4.138 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000046528809 1085713142 /nfs/dbraw/zinc/71/31/42/1085713142.db2.gz RHLIUZFDISVIRZ-JOCHJYFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000046528809 1085713148 /nfs/dbraw/zinc/71/31/48/1085713148.db2.gz RHLIUZFDISVIRZ-JOCHJYFZSA-N 1 2 355.441 4.370 20 30 FIEDLO COc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ccc1C ZINC000178738884 1086003271 /nfs/dbraw/zinc/00/32/71/1086003271.db2.gz TXFRRMVSZWFCSH-UHFFFAOYSA-N 1 2 374.444 4.090 20 30 FIEDLO COc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ccc1C ZINC000178738884 1086003283 /nfs/dbraw/zinc/00/32/83/1086003283.db2.gz TXFRRMVSZWFCSH-UHFFFAOYSA-N 1 2 374.444 4.090 20 30 FIEDLO Cn1ccc([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(Cl)cc2)n1 ZINC000583663568 1086907223 /nfs/dbraw/zinc/90/72/23/1086907223.db2.gz LTIVENGWWQOQPC-TZIWHRDSSA-N 1 2 362.864 4.312 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161890582 1086972622 /nfs/dbraw/zinc/97/26/22/1086972622.db2.gz GHDHEXVQFGQGSO-KRWDZBQOSA-N 1 2 371.554 4.378 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161890582 1086972626 /nfs/dbraw/zinc/97/26/26/1086972626.db2.gz GHDHEXVQFGQGSO-KRWDZBQOSA-N 1 2 371.554 4.378 20 30 FIEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000162052824 1087190671 /nfs/dbraw/zinc/19/06/71/1087190671.db2.gz FBGBFXBZSFHNLP-UHFFFAOYSA-N 1 2 374.423 4.080 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000434674180 1088940721 /nfs/dbraw/zinc/94/07/21/1088940721.db2.gz HTHQEKUNLVVSIU-UHFFFAOYSA-N 1 2 356.828 4.446 20 30 FIEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cccc1Cl ZINC000505480564 1088954497 /nfs/dbraw/zinc/95/44/97/1088954497.db2.gz NQJIYYHDGQKSDF-INIZCTEOSA-N 1 2 371.227 4.174 20 30 FIEDLO C=CCC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000435109534 1089295888 /nfs/dbraw/zinc/29/58/88/1089295888.db2.gz SPZHSGCSBNSROS-HXUWFJFHSA-N 1 2 369.534 4.283 20 30 FIEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)sc2C1 ZINC000328872073 1090000245 /nfs/dbraw/zinc/00/02/45/1090000245.db2.gz YNHRNIFUWQYVBJ-GOSISDBHSA-N 1 2 371.506 4.420 20 30 FIEDLO C[N@H+]1CCc2nc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)sc2C1 ZINC000328872073 1090000260 /nfs/dbraw/zinc/00/02/60/1090000260.db2.gz YNHRNIFUWQYVBJ-GOSISDBHSA-N 1 2 371.506 4.420 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C#N ZINC000014073189 1090224359 /nfs/dbraw/zinc/22/43/59/1090224359.db2.gz ATRTXJDLPXVSBP-UHFFFAOYSA-N 1 2 370.522 4.224 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C#N ZINC000014073189 1090224364 /nfs/dbraw/zinc/22/43/64/1090224364.db2.gz ATRTXJDLPXVSBP-UHFFFAOYSA-N 1 2 370.522 4.224 20 30 FIEDLO COC1(C(F)(F)F)CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000418090143 1091054810 /nfs/dbraw/zinc/05/48/10/1091054810.db2.gz KKMGMTCGDGSOEE-UHFFFAOYSA-N 1 2 359.285 4.388 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458810999 1091677290 /nfs/dbraw/zinc/67/72/90/1091677290.db2.gz NTZKYYCQYUFTPQ-RTBURBONSA-N 1 2 352.482 4.013 20 30 FIEDLO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000512196161 1091890075 /nfs/dbraw/zinc/89/00/75/1091890075.db2.gz NBRIFDBVJPVUSQ-UHFFFAOYSA-N 1 2 350.368 4.499 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1F ZINC000512211921 1091913525 /nfs/dbraw/zinc/91/35/25/1091913525.db2.gz JHYOTLIMRWEOOI-UHFFFAOYSA-N 1 2 368.246 4.252 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1F ZINC000512211921 1091913527 /nfs/dbraw/zinc/91/35/27/1091913527.db2.gz JHYOTLIMRWEOOI-UHFFFAOYSA-N 1 2 368.246 4.252 20 30 FIEDLO C=CC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512373852 1092185593 /nfs/dbraw/zinc/18/55/93/1092185593.db2.gz AFQLHYFZJAJIJY-UHFFFAOYSA-N 1 2 366.446 4.302 20 30 FIEDLO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512373852 1092185597 /nfs/dbraw/zinc/18/55/97/1092185597.db2.gz AFQLHYFZJAJIJY-UHFFFAOYSA-N 1 2 366.446 4.302 20 30 FIEDLO CCCc1c(NCc2c[nH+]c3c(C)cccn23)cnn1-c1cccc(C#N)c1 ZINC000438901049 1092478936 /nfs/dbraw/zinc/47/89/36/1092478936.db2.gz HYQNCZXFJMZNMV-UHFFFAOYSA-N 1 2 370.460 4.265 20 30 FIEDLO C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1cccc(C#N)c1 ZINC000573468918 1092927208 /nfs/dbraw/zinc/92/72/08/1092927208.db2.gz VBQIOZQFNXQWIZ-UHFFFAOYSA-N 1 2 360.436 4.004 20 30 FIEDLO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1cccc(C#N)c1 ZINC000573468918 1092927217 /nfs/dbraw/zinc/92/72/17/1092927217.db2.gz VBQIOZQFNXQWIZ-UHFFFAOYSA-N 1 2 360.436 4.004 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411143819 1093125901 /nfs/dbraw/zinc/12/59/01/1093125901.db2.gz ZIYYXBYNGHQULI-ZDUSSCGKSA-N 1 2 371.531 4.185 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411143819 1093125909 /nfs/dbraw/zinc/12/59/09/1093125909.db2.gz ZIYYXBYNGHQULI-ZDUSSCGKSA-N 1 2 371.531 4.185 20 30 FIEDLO Cc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)sc1Br ZINC000794732240 1093141537 /nfs/dbraw/zinc/14/15/37/1093141537.db2.gz HHQBOLQCFBAGQK-PLNGDYQASA-N 1 2 371.325 4.233 20 30 FIEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329441621 1094909716 /nfs/dbraw/zinc/90/97/16/1094909716.db2.gz NCRGPBOCWPKAKZ-RCOXNQKVSA-N 1 2 366.509 4.010 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329637454 1095036937 /nfs/dbraw/zinc/03/69/37/1095036937.db2.gz AFYSXQJSCATPDA-GHTZIAJQSA-N 1 2 366.509 4.463 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329637454 1095036953 /nfs/dbraw/zinc/03/69/53/1095036953.db2.gz AFYSXQJSCATPDA-GHTZIAJQSA-N 1 2 366.509 4.463 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329836353 1095286805 /nfs/dbraw/zinc/28/68/05/1095286805.db2.gz VBBBJQBYXXMDFN-SZVBFZGTSA-N 1 2 352.482 4.217 20 30 FIEDLO O=C(NCC[C@H]1CCCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330251158 1095435060 /nfs/dbraw/zinc/43/50/60/1095435060.db2.gz NIMPLJCJDKNNJB-LJQANCHMSA-N 1 2 368.481 4.172 20 30 FIEDLO COc1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1C#N ZINC000366901682 1095549469 /nfs/dbraw/zinc/54/94/69/1095549469.db2.gz VJHNJLUERHDBPL-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccccc1 ZINC000027775127 1095648958 /nfs/dbraw/zinc/64/89/58/1095648958.db2.gz GNASHSJLEKRQCU-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccccc1 ZINC000027775127 1095648963 /nfs/dbraw/zinc/64/89/63/1095648963.db2.gz GNASHSJLEKRQCU-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000272541232 1096189693 /nfs/dbraw/zinc/18/96/93/1096189693.db2.gz JPBWRNOUANRMKZ-UHFFFAOYSA-N 1 2 360.255 4.230 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532900563 1098592747 /nfs/dbraw/zinc/59/27/47/1098592747.db2.gz HBWNJZIATYGTLB-ZDUSSCGKSA-N 1 2 368.955 4.498 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532900563 1098592756 /nfs/dbraw/zinc/59/27/56/1098592756.db2.gz HBWNJZIATYGTLB-ZDUSSCGKSA-N 1 2 368.955 4.498 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000532926066 1098597246 /nfs/dbraw/zinc/59/72/46/1098597246.db2.gz OBMDHINCRZEEOU-HUUCEWRRSA-N 1 2 357.479 4.163 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000532926066 1098597256 /nfs/dbraw/zinc/59/72/56/1098597256.db2.gz OBMDHINCRZEEOU-HUUCEWRRSA-N 1 2 357.479 4.163 20 30 FIEDLO CC[C@H](C#N)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000436049086 1098676954 /nfs/dbraw/zinc/67/69/54/1098676954.db2.gz KZMZFMURJKUPDK-DOTOQJQBSA-N 1 2 355.511 4.208 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000533225290 1098890892 /nfs/dbraw/zinc/89/08/92/1098890892.db2.gz KYASTPCLILKNOD-OAHLLOKOSA-N 1 2 371.481 4.290 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000533225290 1098890906 /nfs/dbraw/zinc/89/09/06/1098890906.db2.gz KYASTPCLILKNOD-OAHLLOKOSA-N 1 2 371.481 4.290 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455016478 1098923536 /nfs/dbraw/zinc/92/35/36/1098923536.db2.gz AVPSXRUUGCMRJJ-UHFFFAOYSA-N 1 2 350.466 4.326 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484206 1099103624 /nfs/dbraw/zinc/10/36/24/1099103624.db2.gz OCICLNFXRHWNES-GOSISDBHSA-N 1 2 353.491 4.135 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484206 1099103631 /nfs/dbraw/zinc/10/36/31/1099103631.db2.gz OCICLNFXRHWNES-GOSISDBHSA-N 1 2 353.491 4.135 20 30 FIEDLO N#C[C@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2s1 ZINC000436696167 1099229923 /nfs/dbraw/zinc/22/99/23/1099229923.db2.gz HCZXWCSXZFUPAG-MRXNPFEDSA-N 1 2 358.426 4.031 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506030065 1099817244 /nfs/dbraw/zinc/81/72/44/1099817244.db2.gz FREURHNKYHJEQR-KRWDZBQOSA-N 1 2 363.461 4.432 20 30 FIEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668944 1100149942 /nfs/dbraw/zinc/14/99/42/1100149942.db2.gz SZCLMBCRQSTZHN-PKTZIBPZSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668944 1100149945 /nfs/dbraw/zinc/14/99/45/1100149945.db2.gz SZCLMBCRQSTZHN-PKTZIBPZSA-N 1 2 356.473 4.453 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506121954 1100164379 /nfs/dbraw/zinc/16/43/79/1100164379.db2.gz JYLSIXHMWYCYGJ-QHCPKHFHSA-N 1 2 369.468 4.048 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506121954 1100164390 /nfs/dbraw/zinc/16/43/90/1100164390.db2.gz JYLSIXHMWYCYGJ-QHCPKHFHSA-N 1 2 369.468 4.048 20 30 FIEDLO COC(=O)c1sc2cccc(F)c2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000506379887 1100945621 /nfs/dbraw/zinc/94/56/21/1100945621.db2.gz SYJVTETTWFCAOY-UHFFFAOYSA-N 1 2 368.433 4.331 20 30 FIEDLO COC(=O)c1sc2cccc(F)c2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000506379887 1100945622 /nfs/dbraw/zinc/94/56/22/1100945622.db2.gz SYJVTETTWFCAOY-UHFFFAOYSA-N 1 2 368.433 4.331 20 30 FIEDLO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000506418150 1100985299 /nfs/dbraw/zinc/98/52/99/1100985299.db2.gz WFPFSVFOXNQPDV-UHFFFAOYSA-N 1 2 374.488 4.343 20 30 FIEDLO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000506418150 1100985302 /nfs/dbraw/zinc/98/53/02/1100985302.db2.gz WFPFSVFOXNQPDV-UHFFFAOYSA-N 1 2 374.488 4.343 20 30 FIEDLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000509587270 1100985454 /nfs/dbraw/zinc/98/54/54/1100985454.db2.gz QHHRCNOCHQTCEL-AWEZNQCLSA-N 1 2 354.417 4.075 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1C#N ZINC000537078592 1101442871 /nfs/dbraw/zinc/44/28/71/1101442871.db2.gz LUVAIPXBQMVCBG-QGZVFWFLSA-N 1 2 362.351 4.128 20 30 FIEDLO C=CCCOCCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000537189566 1101524574 /nfs/dbraw/zinc/52/45/74/1101524574.db2.gz WLDJLJNWKPRJNC-UHFFFAOYSA-N 1 2 365.477 4.303 20 30 FIEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000610367315 1101951307 /nfs/dbraw/zinc/95/13/07/1101951307.db2.gz ZPQNTHHZSHIXSG-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000610367315 1101951312 /nfs/dbraw/zinc/95/13/12/1101951312.db2.gz ZPQNTHHZSHIXSG-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](CC)CCC#N)cc1OCC ZINC000127609537 1102091840 /nfs/dbraw/zinc/09/18/40/1102091840.db2.gz WVBBBWILWSDZCO-UHFFFAOYSA-N 1 2 367.287 4.148 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](CC)CCC#N)cc1OCC ZINC000127609537 1102091854 /nfs/dbraw/zinc/09/18/54/1102091854.db2.gz WVBBBWILWSDZCO-UHFFFAOYSA-N 1 2 367.287 4.148 20 30 FIEDLO C=CCc1cc(C[N@H+](C)Cc2nc3ccccc3s2)cc(OC)c1O ZINC000120787760 1102263914 /nfs/dbraw/zinc/26/39/14/1102263914.db2.gz RZICQDYYTPIUEI-UHFFFAOYSA-N 1 2 354.475 4.371 20 30 FIEDLO C=CCc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)cc(OC)c1O ZINC000120787760 1102263922 /nfs/dbraw/zinc/26/39/22/1102263922.db2.gz RZICQDYYTPIUEI-UHFFFAOYSA-N 1 2 354.475 4.371 20 30 FIEDLO C=CC[C@@H](CC)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001270621833 1102279333 /nfs/dbraw/zinc/27/93/33/1102279333.db2.gz CCVJIEZIJJIGBF-SJORKVTESA-N 1 2 365.315 4.057 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000537635002 1102337800 /nfs/dbraw/zinc/33/78/00/1102337800.db2.gz MTEBWXQGLURVHC-IBGZPJMESA-N 1 2 361.461 4.167 20 30 FIEDLO C=CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000111257408 1102496144 /nfs/dbraw/zinc/49/61/44/1102496144.db2.gz VEWRFHCYPRWUDZ-UHFFFAOYSA-N 1 2 359.470 4.365 20 30 FIEDLO N#CCn1c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc2ccccc21 ZINC000612937181 1102525821 /nfs/dbraw/zinc/52/58/21/1102525821.db2.gz VHBXUEZGIBMVBE-UHFFFAOYSA-N 1 2 366.384 4.068 20 30 FIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476690653 1102712973 /nfs/dbraw/zinc/71/29/73/1102712973.db2.gz FENUBQIRRSDPRP-IEBWSBKVSA-N 1 2 367.518 4.041 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000237603121 1103098630 /nfs/dbraw/zinc/09/86/30/1103098630.db2.gz BLSBALBRCIUUTP-KGLIPLIRSA-N 1 2 366.396 4.017 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000477141241 1103162433 /nfs/dbraw/zinc/16/24/33/1103162433.db2.gz VDKRCUXQQMTZOO-SFHVURJKSA-N 1 2 351.494 4.243 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000477141241 1103162443 /nfs/dbraw/zinc/16/24/43/1103162443.db2.gz VDKRCUXQQMTZOO-SFHVURJKSA-N 1 2 351.494 4.243 20 30 FIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000441325583 1104284741 /nfs/dbraw/zinc/28/47/41/1104284741.db2.gz CIGAKEJSXCIUDS-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000112546959 1104369393 /nfs/dbraw/zinc/36/93/93/1104369393.db2.gz INRVNGIZHOPMQA-KBPBESRZSA-N 1 2 363.552 4.021 20 30 FIEDLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000328700080 1104540574 /nfs/dbraw/zinc/54/05/74/1104540574.db2.gz MNMMOPMHHLSGPQ-OAHLLOKOSA-N 1 2 352.482 4.143 20 30 FIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328764657 1104553517 /nfs/dbraw/zinc/55/35/17/1104553517.db2.gz AHSGFURZWNFBFJ-ZMSDIMECSA-N 1 2 367.852 4.080 20 30 FIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328764657 1104553521 /nfs/dbraw/zinc/55/35/21/1104553521.db2.gz AHSGFURZWNFBFJ-ZMSDIMECSA-N 1 2 367.852 4.080 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000330786426 1104675596 /nfs/dbraw/zinc/67/55/96/1104675596.db2.gz VOICDONIRDMJPP-UHFFFAOYSA-N 1 2 360.255 4.230 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000330786003 1104675877 /nfs/dbraw/zinc/67/58/77/1104675877.db2.gz UWSGJSSSXRGTGK-LLVKDONJSA-N 1 2 373.806 4.311 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400367 1104989274 /nfs/dbraw/zinc/98/92/74/1104989274.db2.gz TYIONYNEICWIGN-HXUWFJFHSA-N 1 2 358.844 4.296 20 30 FIEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)c1 ZINC000475334401 1106737508 /nfs/dbraw/zinc/73/75/08/1106737508.db2.gz PKTJKOOMUMRIEN-KRWDZBQOSA-N 1 2 372.490 4.140 20 30 FIEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)c1 ZINC000475334401 1106737517 /nfs/dbraw/zinc/73/75/17/1106737517.db2.gz PKTJKOOMUMRIEN-KRWDZBQOSA-N 1 2 372.490 4.140 20 30 FIEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000444796974 1108191998 /nfs/dbraw/zinc/19/19/98/1108191998.db2.gz CKQQWVLGXUKQLZ-FQEVSTJZSA-N 1 2 367.880 4.055 20 30 FIEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000444796974 1108192007 /nfs/dbraw/zinc/19/20/07/1108192007.db2.gz CKQQWVLGXUKQLZ-FQEVSTJZSA-N 1 2 367.880 4.055 20 30 FIEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)sc1Br ZINC000453276488 1108350218 /nfs/dbraw/zinc/35/02/18/1108350218.db2.gz ZSZDPTJGSFZQIJ-MRVPVSSYSA-N 1 2 354.248 4.076 20 30 FIEDLO N#CCc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527703442 1109807853 /nfs/dbraw/zinc/80/78/53/1109807853.db2.gz ZIZMGKLSTDOGLL-LJQANCHMSA-N 1 2 353.853 4.009 20 30 FIEDLO N#CCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527703442 1109807858 /nfs/dbraw/zinc/80/78/58/1109807858.db2.gz ZIZMGKLSTDOGLL-LJQANCHMSA-N 1 2 353.853 4.009 20 30 FIEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccccc2I)CCC1 ZINC000450409080 1110292804 /nfs/dbraw/zinc/29/28/04/1110292804.db2.gz WZVRUTONEVMRDS-HNNXBMFYSA-N 1 2 366.246 4.122 20 30 FIEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccccc2I)CCC1 ZINC000450409080 1110292807 /nfs/dbraw/zinc/29/28/07/1110292807.db2.gz WZVRUTONEVMRDS-HNNXBMFYSA-N 1 2 366.246 4.122 20 30 FIEDLO Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962996 1111442727 /nfs/dbraw/zinc/44/27/27/1111442727.db2.gz FKXBNPVEYREYAB-DLBZAZTESA-N 1 2 362.811 4.051 20 30 FIEDLO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(Cl)cc1C#N ZINC000461962996 1111442728 /nfs/dbraw/zinc/44/27/28/1111442728.db2.gz FKXBNPVEYREYAB-DLBZAZTESA-N 1 2 362.811 4.051 20 30 FIEDLO C=CC[C@H]1N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC1(C)C ZINC000462009883 1111463345 /nfs/dbraw/zinc/46/33/45/1111463345.db2.gz RCPPCJCWIYWPMO-HXUWFJFHSA-N 1 2 366.509 4.208 20 30 FIEDLO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000552357920 1111690034 /nfs/dbraw/zinc/69/00/34/1111690034.db2.gz ZABWPIDTMBJHQB-SFHVURJKSA-N 1 2 370.415 4.301 20 30 FIEDLO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000552357920 1111690036 /nfs/dbraw/zinc/69/00/36/1111690036.db2.gz ZABWPIDTMBJHQB-SFHVURJKSA-N 1 2 370.415 4.301 20 30 FIEDLO C=CCN(Cc1ccccc1F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553039770 1111889117 /nfs/dbraw/zinc/88/91/17/1111889117.db2.gz ZFPGYWBLFOCGRF-IBGZPJMESA-N 1 2 363.436 4.286 20 30 FIEDLO Cc1ccc(-c2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)co2)cc1 ZINC000554559539 1112400655 /nfs/dbraw/zinc/40/06/55/1112400655.db2.gz CJYQLYKZPKAKFW-UHFFFAOYSA-N 1 2 358.445 4.102 20 30 FIEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCCCNc1cccc[nH+]1 ZINC000488306102 1113908003 /nfs/dbraw/zinc/90/80/03/1113908003.db2.gz LPGJHJFJRGBNEZ-UHFFFAOYSA-N 1 2 353.376 4.084 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000489502259 1114120098 /nfs/dbraw/zinc/12/00/98/1114120098.db2.gz YHVMTNFGIFTMHB-KRWDZBQOSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000489502259 1114120101 /nfs/dbraw/zinc/12/01/01/1114120101.db2.gz YHVMTNFGIFTMHB-KRWDZBQOSA-N 1 2 355.507 4.173 20 30 FIEDLO Oc1ccc2ccccc2c1/C=N/C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912962662 1114263797 /nfs/dbraw/zinc/26/37/97/1114263797.db2.gz XRUIYIMDXBRCOR-ZHNJOBQTSA-N 1 2 360.457 4.038 20 30 FIEDLO CCCCn1c(SCc2cccc(C#N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000029595084 1114333268 /nfs/dbraw/zinc/33/32/68/1114333268.db2.gz SKULWXSRLWMFJQ-QGZVFWFLSA-N 1 2 357.527 4.255 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000572484844 1114649205 /nfs/dbraw/zinc/64/92/05/1114649205.db2.gz YDNLPJPGKDTDCR-UHFFFAOYSA-N 1 2 357.454 4.028 20 30 FIEDLO C[C@]1(C#N)CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000589764014 1114837659 /nfs/dbraw/zinc/83/76/59/1114837659.db2.gz JWBIRSCFSVFWPI-OAQYLSRUSA-N 1 2 363.465 4.044 20 30 FIEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000590171411 1114907342 /nfs/dbraw/zinc/90/73/42/1114907342.db2.gz TZSLCSUYUQATBJ-JOCHJYFZSA-N 1 2 366.484 4.035 20 30 FIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151056 1115205693 /nfs/dbraw/zinc/20/56/93/1115205693.db2.gz JVQJLODOOSIOAU-APPDUMDISA-N 1 2 366.248 4.060 20 30 FIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151056 1115205697 /nfs/dbraw/zinc/20/56/97/1115205697.db2.gz JVQJLODOOSIOAU-APPDUMDISA-N 1 2 366.248 4.060 20 30 FIEDLO N#CC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCC1 ZINC000593652725 1115337279 /nfs/dbraw/zinc/33/72/79/1115337279.db2.gz IHBRVOZZIFDSFV-UHFFFAOYSA-N 1 2 359.271 4.013 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000592996151 1115534167 /nfs/dbraw/zinc/53/41/67/1115534167.db2.gz QZEKSMMGWZXLAX-INIZCTEOSA-N 1 2 364.430 4.413 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000592996151 1115534170 /nfs/dbraw/zinc/53/41/70/1115534170.db2.gz QZEKSMMGWZXLAX-INIZCTEOSA-N 1 2 364.430 4.413 20 30 FIEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000595673446 1115556272 /nfs/dbraw/zinc/55/62/72/1115556272.db2.gz DXALFOORTUDCBW-NRFANRHFSA-N 1 2 363.461 4.144 20 30 FIEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1)c1ccccc1 ZINC000595673446 1115556275 /nfs/dbraw/zinc/55/62/75/1115556275.db2.gz DXALFOORTUDCBW-NRFANRHFSA-N 1 2 363.461 4.144 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000060355763 1115621620 /nfs/dbraw/zinc/62/16/20/1115621620.db2.gz MEPQTURTPLBSIU-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000597177814 1115646960 /nfs/dbraw/zinc/64/69/60/1115646960.db2.gz QWUBWKMHRYTRHS-NSHDSACASA-N 1 2 359.214 4.176 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000597177814 1115646961 /nfs/dbraw/zinc/64/69/61/1115646961.db2.gz QWUBWKMHRYTRHS-NSHDSACASA-N 1 2 359.214 4.176 20 30 FIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000597232355 1115649890 /nfs/dbraw/zinc/64/98/90/1115649890.db2.gz TWTVLHHGZUUAHH-INIZCTEOSA-N 1 2 362.296 4.308 20 30 FIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000597232355 1115649891 /nfs/dbraw/zinc/64/98/91/1115649891.db2.gz TWTVLHHGZUUAHH-INIZCTEOSA-N 1 2 362.296 4.308 20 30 FIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000597229930 1115649966 /nfs/dbraw/zinc/64/99/66/1115649966.db2.gz NVHPQNRPHXGQMK-FQEVSTJZSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000597229930 1115649968 /nfs/dbraw/zinc/64/99/68/1115649968.db2.gz NVHPQNRPHXGQMK-FQEVSTJZSA-N 1 2 353.853 4.328 20 30 FIEDLO N#Cc1cccc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000602630299 1115716914 /nfs/dbraw/zinc/71/69/14/1115716914.db2.gz MDDNDZZXFXOJFV-UHFFFAOYSA-N 1 2 351.759 4.404 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000060942722 1115734784 /nfs/dbraw/zinc/73/47/84/1115734784.db2.gz GDUUKBCNVUHQNA-UHFFFAOYSA-N 1 2 354.397 4.394 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000060942722 1115734788 /nfs/dbraw/zinc/73/47/88/1115734788.db2.gz GDUUKBCNVUHQNA-UHFFFAOYSA-N 1 2 354.397 4.394 20 30 FIEDLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000603934135 1115834129 /nfs/dbraw/zinc/83/41/29/1115834129.db2.gz BNHGKXNWDAOVFM-OAHLLOKOSA-N 1 2 367.880 4.053 20 30 FIEDLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000603934135 1115834132 /nfs/dbraw/zinc/83/41/32/1115834132.db2.gz BNHGKXNWDAOVFM-OAHLLOKOSA-N 1 2 367.880 4.053 20 30 FIEDLO COc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F ZINC000669707634 1115839111 /nfs/dbraw/zinc/83/91/11/1115839111.db2.gz WSJRNNTYNPCXNU-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO COc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F ZINC000669707634 1115839113 /nfs/dbraw/zinc/83/91/13/1115839113.db2.gz WSJRNNTYNPCXNU-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300808 1116037818 /nfs/dbraw/zinc/03/78/18/1116037818.db2.gz WKVZPSRVKYORCW-LJQANCHMSA-N 1 2 361.489 4.041 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300808 1116037821 /nfs/dbraw/zinc/03/78/21/1116037821.db2.gz WKVZPSRVKYORCW-LJQANCHMSA-N 1 2 361.489 4.041 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300254 1116038581 /nfs/dbraw/zinc/03/85/81/1116038581.db2.gz GTAXZIYRWOJIQD-DEOSSOPVSA-N 1 2 373.500 4.122 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300254 1116038583 /nfs/dbraw/zinc/03/85/83/1116038583.db2.gz GTAXZIYRWOJIQD-DEOSSOPVSA-N 1 2 373.500 4.122 20 30 FIEDLO COc1cccc([C@@H](C)[NH+]2CCN(c3c(Cl)cccc3C#N)CC2)c1 ZINC000462820950 1117795970 /nfs/dbraw/zinc/79/59/70/1117795970.db2.gz WLBWVFRNZGWKAO-OAHLLOKOSA-N 1 2 355.869 4.103 20 30 FIEDLO N#Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(Br)c1 ZINC000463426988 1118150519 /nfs/dbraw/zinc/15/05/19/1118150519.db2.gz SECAFEMYJVOGTH-UHFFFAOYSA-N 1 2 369.262 4.074 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(Br)c1 ZINC000463426988 1118150522 /nfs/dbraw/zinc/15/05/22/1118150522.db2.gz SECAFEMYJVOGTH-UHFFFAOYSA-N 1 2 369.262 4.074 20 30 FIEDLO N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc4[nH+]ccn43)c2)c1 ZINC000460340860 1118349624 /nfs/dbraw/zinc/34/96/24/1118349624.db2.gz WDBBZKDAGMOGOB-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(CC#N)CC1 ZINC000541019078 1118356748 /nfs/dbraw/zinc/35/67/48/1118356748.db2.gz FITKSRKKXWZYBZ-STQMWFEESA-N 1 2 370.522 4.208 20 30 FIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000609131080 1118518123 /nfs/dbraw/zinc/51/81/23/1118518123.db2.gz HJXPXPDBIBDIPC-LJQANCHMSA-N 1 2 372.428 4.024 20 30 FIEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1OC ZINC000492113391 1119027133 /nfs/dbraw/zinc/02/71/33/1119027133.db2.gz YHCLORPJVHBYPV-UHFFFAOYSA-N 1 2 370.371 4.292 20 30 FIEDLO C=CCC[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000186795586 1119749234 /nfs/dbraw/zinc/74/92/34/1119749234.db2.gz WMZIIKSCLWSEBA-QFIPXVFZSA-N 1 2 359.473 4.298 20 30 FIEDLO C=CCC[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000187531752 1119788259 /nfs/dbraw/zinc/78/82/59/1119788259.db2.gz UFEKZMKCGVINFO-QFIPXVFZSA-N 1 2 359.473 4.298 20 30 FIEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761761424 1120356591 /nfs/dbraw/zinc/35/65/91/1120356591.db2.gz ZEAWNHCQEGRYRB-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761761424 1120356598 /nfs/dbraw/zinc/35/65/98/1120356598.db2.gz ZEAWNHCQEGRYRB-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000153339633 1120515511 /nfs/dbraw/zinc/51/55/11/1120515511.db2.gz JWNVKGZXMCXMQP-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000153339633 1120515516 /nfs/dbraw/zinc/51/55/16/1120515516.db2.gz JWNVKGZXMCXMQP-MRXNPFEDSA-N 1 2 357.527 4.132 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762145566 1120736302 /nfs/dbraw/zinc/73/63/02/1120736302.db2.gz VYZHXUNXJCUPQH-MRXNPFEDSA-N 1 2 369.538 4.274 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762145566 1120736309 /nfs/dbraw/zinc/73/63/09/1120736309.db2.gz VYZHXUNXJCUPQH-MRXNPFEDSA-N 1 2 369.538 4.274 20 30 FIEDLO CCc1cc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)on1 ZINC001203227757 1121296405 /nfs/dbraw/zinc/29/64/05/1121296405.db2.gz ITNIQCGNPSDMKI-UHFFFAOYSA-N 1 2 356.429 4.183 20 30 FIEDLO CN([NH+]=Cc1ccccc1N1CCCCC1)C(=S)NCc1ccccc1 ZINC000916278347 1121461956 /nfs/dbraw/zinc/46/19/56/1121461956.db2.gz IDJWTQRWGDRROI-UHFFFAOYSA-N 1 2 366.534 4.017 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125405875 1121776208 /nfs/dbraw/zinc/77/62/08/1121776208.db2.gz IJTMNSLQCZEOKW-SFHVURJKSA-N 1 2 353.491 4.135 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125405875 1121776221 /nfs/dbraw/zinc/77/62/21/1121776221.db2.gz IJTMNSLQCZEOKW-SFHVURJKSA-N 1 2 353.491 4.135 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125405684 1121776380 /nfs/dbraw/zinc/77/63/80/1121776380.db2.gz IJTMNSLQCZEOKW-GOSISDBHSA-N 1 2 353.491 4.135 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125405684 1121776385 /nfs/dbraw/zinc/77/63/85/1121776385.db2.gz IJTMNSLQCZEOKW-GOSISDBHSA-N 1 2 353.491 4.135 20 30 FIEDLO FC(F)(F)c1cnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000917025306 1122009929 /nfs/dbraw/zinc/00/99/29/1122009929.db2.gz SPICGLZUJBNGGJ-UHFFFAOYSA-N 1 2 365.746 4.386 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)c1C ZINC000131212625 1123003777 /nfs/dbraw/zinc/00/37/77/1123003777.db2.gz WVCQHEFAOVIPLJ-LJQANCHMSA-N 1 2 356.466 4.050 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)c1C ZINC000131212625 1123003782 /nfs/dbraw/zinc/00/37/82/1123003782.db2.gz WVCQHEFAOVIPLJ-LJQANCHMSA-N 1 2 356.466 4.050 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000556623131 1123009790 /nfs/dbraw/zinc/00/97/90/1123009790.db2.gz UCNRSBGMTULDOG-GUYCJALGSA-N 1 2 364.474 4.001 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)cc1F ZINC000542618212 1123461861 /nfs/dbraw/zinc/46/18/61/1123461861.db2.gz JSOIXQWEFNPYPQ-AWEZNQCLSA-N 1 2 350.397 4.101 20 30 FIEDLO C=CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)CC1 ZINC000111693220 1124923690 /nfs/dbraw/zinc/92/36/90/1124923690.db2.gz AWTSQVYKCWQCOE-UHFFFAOYSA-N 1 2 359.470 4.365 20 30 FIEDLO C=CCCCCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001128274195 1125178340 /nfs/dbraw/zinc/17/83/40/1125178340.db2.gz INDIBFXAMGYYNP-KRWDZBQOSA-N 1 2 365.315 4.059 20 30 FIEDLO COc1ccc(F)cc1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618450313 1125183793 /nfs/dbraw/zinc/18/37/93/1125183793.db2.gz LUQHNPHDJDHKQF-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000618548553 1125201340 /nfs/dbraw/zinc/20/13/40/1125201340.db2.gz DMKSSPVTIKIXKA-INIZCTEOSA-N 1 2 356.267 4.053 20 30 FIEDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccnc(C#N)c1 ZINC000618548553 1125201347 /nfs/dbraw/zinc/20/13/47/1125201347.db2.gz DMKSSPVTIKIXKA-INIZCTEOSA-N 1 2 356.267 4.053 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000092975623 1125255794 /nfs/dbraw/zinc/25/57/94/1125255794.db2.gz NCRJGUJKSLYKCX-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000092975623 1125255798 /nfs/dbraw/zinc/25/57/98/1125255798.db2.gz NCRJGUJKSLYKCX-NRFANRHFSA-N 1 2 354.425 4.082 20 30 FIEDLO Cc1cccn2cc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)[nH+]c12 ZINC000107689623 209278635 /nfs/dbraw/zinc/27/86/35/209278635.db2.gz KFIYZOWSVFWDKB-UHFFFAOYSA-N 1 2 352.397 4.434 20 30 FIEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000601942802 567882059 /nfs/dbraw/zinc/88/20/59/567882059.db2.gz VGDGUZVZQQYBDM-AWEZNQCLSA-N 1 2 374.366 4.426 20 30 FIEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000602494857 567983217 /nfs/dbraw/zinc/98/32/17/567983217.db2.gz WKNFZNWWZVHPOD-KRWDZBQOSA-N 1 2 364.493 4.397 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1ccc(C)c(C)c1 ZINC000602695396 568016201 /nfs/dbraw/zinc/01/62/01/568016201.db2.gz SIGWHVAMYSZGMZ-DLBZAZTESA-N 1 2 368.506 4.226 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793878 568127298 /nfs/dbraw/zinc/12/72/98/568127298.db2.gz HHBQWCUQTNAPMB-OAHLLOKOSA-N 1 2 365.864 4.328 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793878 568127299 /nfs/dbraw/zinc/12/72/99/568127299.db2.gz HHBQWCUQTNAPMB-OAHLLOKOSA-N 1 2 365.864 4.328 20 30 FIEDLO C=CCn1c(SCCc2[nH+]cc(C)cc2C)nnc1-c1ccoc1C ZINC000563112669 568204443 /nfs/dbraw/zinc/20/44/43/568204443.db2.gz IPCSZHBGAKZPOR-UHFFFAOYSA-N 1 2 354.479 4.379 20 30 FIEDLO CC(=O)c1ccc(C#N)c(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1 ZINC000570371733 568481045 /nfs/dbraw/zinc/48/10/45/568481045.db2.gz FLLJFHAKHSVCSA-GOSISDBHSA-N 1 2 358.445 4.330 20 30 FIEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)nc1 ZINC000570523486 568484013 /nfs/dbraw/zinc/48/40/13/568484013.db2.gz VGOYZQNUISPHLT-SFHVURJKSA-N 1 2 368.506 4.111 20 30 FIEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)nc1 ZINC000570523486 568484015 /nfs/dbraw/zinc/48/40/15/568484015.db2.gz VGOYZQNUISPHLT-SFHVURJKSA-N 1 2 368.506 4.111 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000619656688 1125648807 /nfs/dbraw/zinc/64/88/07/1125648807.db2.gz ZNEQIKROTNNKKP-GOSISDBHSA-N 1 2 365.864 4.136 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000619656688 1125648821 /nfs/dbraw/zinc/64/88/21/1125648821.db2.gz ZNEQIKROTNNKKP-GOSISDBHSA-N 1 2 365.864 4.136 20 30 FIEDLO COc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000619674352 1125652083 /nfs/dbraw/zinc/65/20/83/1125652083.db2.gz CLNNPTYIMVFZQE-STQMWFEESA-N 1 2 366.305 4.130 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1Cl ZINC000619754932 1125681143 /nfs/dbraw/zinc/68/11/43/1125681143.db2.gz OSUCUGFHQVZLKX-LJQANCHMSA-N 1 2 352.800 4.020 20 30 FIEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(CCC#N)CC1 ZINC000579831522 1080032227 /nfs/dbraw/zinc/03/22/27/1080032227.db2.gz YIQFVSWXIOQLSB-UHFFFAOYSA-N 1 2 351.450 4.240 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2occc2Br)cc1 ZINC000748098754 1080681795 /nfs/dbraw/zinc/68/17/95/1080681795.db2.gz MVEFITIGEUALQL-UHFFFAOYSA-N 1 2 358.157 4.202 20 30 FIEDLO CSc1cc[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001167152193 1080745845 /nfs/dbraw/zinc/74/58/45/1080745845.db2.gz CNUVSXANUJDLBU-UHFFFAOYSA-N 1 2 359.882 4.376 20 30 FIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000160312667 1081307479 /nfs/dbraw/zinc/30/74/79/1081307479.db2.gz UVTAVCMYTDXHMA-FQEVSTJZSA-N 1 2 358.844 4.296 20 30 FIEDLO CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000580563729 1082018445 /nfs/dbraw/zinc/01/84/45/1082018445.db2.gz LMLXUZBZNVMHCG-WGSAOQKQSA-N 1 2 362.477 4.036 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780494086 1082257998 /nfs/dbraw/zinc/25/79/98/1082257998.db2.gz BBQQHYVOGRKUFV-GOSISDBHSA-N 1 2 371.554 4.378 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780494086 1082258002 /nfs/dbraw/zinc/25/80/02/1082258002.db2.gz BBQQHYVOGRKUFV-GOSISDBHSA-N 1 2 371.554 4.378 20 30 FIEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1Br ZINC000255294440 1082480317 /nfs/dbraw/zinc/48/03/17/1082480317.db2.gz GECGNWLIAFPLFC-SREVYHEPSA-N 1 2 357.207 4.002 20 30 FIEDLO COc1cnc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)c(C#N)c1 ZINC001167457043 1082514030 /nfs/dbraw/zinc/51/40/30/1082514030.db2.gz QYLPTCFIKPKBCW-UHFFFAOYSA-N 1 2 361.430 4.152 20 30 FIEDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187470414 1082983302 /nfs/dbraw/zinc/98/33/02/1082983302.db2.gz SRNLAWGYHSYWOQ-IBGZPJMESA-N 1 2 356.853 4.384 20 30 FIEDLO C=CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1ccc(OC)cc1 ZINC000510660917 1083226135 /nfs/dbraw/zinc/22/61/35/1083226135.db2.gz WDMJQPYYVZOUEQ-UHFFFAOYSA-N 1 2 370.522 4.419 20 30 FIEDLO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1ccc(OC)cc1 ZINC000510660917 1083226136 /nfs/dbraw/zinc/22/61/36/1083226136.db2.gz WDMJQPYYVZOUEQ-UHFFFAOYSA-N 1 2 370.522 4.419 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000092595004 1083443207 /nfs/dbraw/zinc/44/32/07/1083443207.db2.gz URQPJVKZUGRAKC-IBGZPJMESA-N 1 2 359.491 4.285 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1OC ZINC000092595004 1083443209 /nfs/dbraw/zinc/44/32/09/1083443209.db2.gz URQPJVKZUGRAKC-IBGZPJMESA-N 1 2 359.491 4.285 20 30 FIEDLO C=C(C)CN(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000180991336 1083756912 /nfs/dbraw/zinc/75/69/12/1083756912.db2.gz XXYSGAZJXJPVKO-UHFFFAOYSA-N 1 2 374.488 4.316 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612405854 1083779593 /nfs/dbraw/zinc/77/95/93/1083779593.db2.gz DIJHQCHRHZTSFQ-QGZVFWFLSA-N 1 2 356.388 4.152 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612405854 1083779601 /nfs/dbraw/zinc/77/96/01/1083779601.db2.gz DIJHQCHRHZTSFQ-QGZVFWFLSA-N 1 2 356.388 4.152 20 30 FIEDLO Cc1ccc([C@@H](CNc2ccc(Cl)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000511415450 1084301886 /nfs/dbraw/zinc/30/18/86/1084301886.db2.gz RQEMCKBBORRQAT-HXUWFJFHSA-N 1 2 355.869 4.006 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1C ZINC000051425741 1084608104 /nfs/dbraw/zinc/60/81/04/1084608104.db2.gz FGYCPRKUKYWEIY-KRWDZBQOSA-N 1 2 367.518 4.231 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1C ZINC000051425741 1084608122 /nfs/dbraw/zinc/60/81/22/1084608122.db2.gz FGYCPRKUKYWEIY-KRWDZBQOSA-N 1 2 367.518 4.231 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001299759957 1085087058 /nfs/dbraw/zinc/08/70/58/1085087058.db2.gz SZHFJCXRHOHICU-POAQFYNOSA-N 1 2 362.477 4.144 20 30 FIEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@@H]2C ZINC000611688325 1085346048 /nfs/dbraw/zinc/34/60/48/1085346048.db2.gz XSVNVYYWKDUUQQ-HUUCEWRRSA-N 1 2 374.444 4.125 20 30 FIEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@@H]2C ZINC000611688325 1085346058 /nfs/dbraw/zinc/34/60/58/1085346058.db2.gz XSVNVYYWKDUUQQ-HUUCEWRRSA-N 1 2 374.444 4.125 20 30 FIEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@H]2C ZINC000611688323 1085346690 /nfs/dbraw/zinc/34/66/90/1085346690.db2.gz XSVNVYYWKDUUQQ-CABCVRRESA-N 1 2 374.444 4.125 20 30 FIEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)[C@H]2C ZINC000611688323 1085346699 /nfs/dbraw/zinc/34/66/99/1085346699.db2.gz XSVNVYYWKDUUQQ-CABCVRRESA-N 1 2 374.444 4.125 20 30 FIEDLO N#Cc1ccc(CCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000044568695 1085402856 /nfs/dbraw/zinc/40/28/56/1085402856.db2.gz YOQVYWVBYBXWBR-UHFFFAOYSA-N 1 2 370.456 4.329 20 30 FIEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@@H](C)COC ZINC000661243952 1085478297 /nfs/dbraw/zinc/47/82/97/1085478297.db2.gz OJVHFXBDXSRINQ-NSHDSACASA-N 1 2 356.253 4.066 20 30 FIEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@@H](C)COC ZINC000661243952 1085478304 /nfs/dbraw/zinc/47/83/04/1085478304.db2.gz OJVHFXBDXSRINQ-NSHDSACASA-N 1 2 356.253 4.066 20 30 FIEDLO Oc1cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc(C(F)(F)F)c1 ZINC000651900753 1085619433 /nfs/dbraw/zinc/61/94/33/1085619433.db2.gz HQKCLEWGGRCOLO-UHFFFAOYSA-N 1 2 357.269 4.277 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000512071526 1086736884 /nfs/dbraw/zinc/73/68/84/1086736884.db2.gz JYIIUNJPESNCBV-UHFFFAOYSA-N 1 2 356.853 4.417 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000512071526 1086736891 /nfs/dbraw/zinc/73/68/91/1086736891.db2.gz JYIIUNJPESNCBV-UHFFFAOYSA-N 1 2 356.853 4.417 20 30 FIEDLO CC(C)c1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000090089905 1086814136 /nfs/dbraw/zinc/81/41/36/1086814136.db2.gz IPDRNSZXLBDCSO-UHFFFAOYSA-N 1 2 364.497 4.071 20 30 FIEDLO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(C#N)CC1 ZINC000163271946 1086859054 /nfs/dbraw/zinc/85/90/54/1086859054.db2.gz IVBLCBFEJYCOAZ-SNVBAGLBSA-N 1 2 351.237 4.340 20 30 FIEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1OC1CCCC1 ZINC000584295806 1087252056 /nfs/dbraw/zinc/25/20/56/1087252056.db2.gz QPAMGNYCBBOCFU-CYBMUJFWSA-N 1 2 357.479 4.196 20 30 FIEDLO O=C(CC1(O)CCCC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329764244 1087273500 /nfs/dbraw/zinc/27/35/00/1087273500.db2.gz VMUIZKJXIACDPX-INIZCTEOSA-N 1 2 368.880 4.268 20 30 FIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000480570375 1087599088 /nfs/dbraw/zinc/59/90/88/1087599088.db2.gz BGJKXKCHCXBMPD-UHFFFAOYSA-N 1 2 372.428 4.093 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000505000227 1088027308 /nfs/dbraw/zinc/02/73/08/1088027308.db2.gz BAHBTGFVPVQPHM-UHFFFAOYSA-N 1 2 360.461 4.372 20 30 FIEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000181177322 1088262724 /nfs/dbraw/zinc/26/27/24/1088262724.db2.gz HVYUYPZZRBGXKO-OAHLLOKOSA-N 1 2 350.285 4.192 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434906932 1089127530 /nfs/dbraw/zinc/12/75/30/1089127530.db2.gz PKXRVIQDRYHZAB-OAHLLOKOSA-N 1 2 365.864 4.328 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434906932 1089127539 /nfs/dbraw/zinc/12/75/39/1089127539.db2.gz PKXRVIQDRYHZAB-OAHLLOKOSA-N 1 2 365.864 4.328 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000435109533 1089295458 /nfs/dbraw/zinc/29/54/58/1089295458.db2.gz SPZHSGCSBNSROS-FQEVSTJZSA-N 1 2 369.534 4.283 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc1C ZINC000480781614 1089619769 /nfs/dbraw/zinc/61/97/69/1089619769.db2.gz QVUKYCCUJQZCSS-UHFFFAOYSA-N 1 2 359.267 4.270 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc1C ZINC000480781614 1089619775 /nfs/dbraw/zinc/61/97/75/1089619775.db2.gz QVUKYCCUJQZCSS-UHFFFAOYSA-N 1 2 359.267 4.270 20 30 FIEDLO COc1ccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1C#N ZINC000378271882 1090260269 /nfs/dbraw/zinc/26/02/69/1090260269.db2.gz NWYXOOFZYBLTBZ-UHFFFAOYSA-N 1 2 356.429 4.094 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000237502236 1092503708 /nfs/dbraw/zinc/50/37/08/1092503708.db2.gz IVMSFSJASGICGO-MRXNPFEDSA-N 1 2 367.497 4.318 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000512560168 1092936730 /nfs/dbraw/zinc/93/67/30/1092936730.db2.gz CFBHXODLDQCOJW-GOSISDBHSA-N 1 2 368.525 4.432 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000512560168 1092936732 /nfs/dbraw/zinc/93/67/32/1092936732.db2.gz CFBHXODLDQCOJW-GOSISDBHSA-N 1 2 368.525 4.432 20 30 FIEDLO CC(C)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccco1 ZINC000521823657 1092940144 /nfs/dbraw/zinc/94/01/44/1092940144.db2.gz GOQJKJWXIVLDBU-UHFFFAOYSA-N 1 2 359.857 4.090 20 30 FIEDLO CC(C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccco1 ZINC000521823657 1092940147 /nfs/dbraw/zinc/94/01/47/1092940147.db2.gz GOQJKJWXIVLDBU-UHFFFAOYSA-N 1 2 359.857 4.090 20 30 FIEDLO C=C(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccccc1 ZINC000512659331 1093095588 /nfs/dbraw/zinc/09/55/88/1093095588.db2.gz FTNLFSGOPIMBIW-YADHBBJMSA-N 1 2 372.472 4.124 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000614185400 1093096303 /nfs/dbraw/zinc/09/63/03/1093096303.db2.gz LPCPDGRAANTKBJ-MRXNPFEDSA-N 1 2 360.461 4.312 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001141814942 1093584107 /nfs/dbraw/zinc/58/41/07/1093584107.db2.gz UTPPKQXPYXUQNH-OAHLLOKOSA-N 1 2 359.242 4.449 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001141814942 1093584112 /nfs/dbraw/zinc/58/41/12/1093584112.db2.gz UTPPKQXPYXUQNH-OAHLLOKOSA-N 1 2 359.242 4.449 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000121184325 1094495769 /nfs/dbraw/zinc/49/57/69/1094495769.db2.gz JQKPHNORHXNKKG-CQSZACIVSA-N 1 2 356.495 4.078 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000121184325 1094495777 /nfs/dbraw/zinc/49/57/77/1094495777.db2.gz JQKPHNORHXNKKG-CQSZACIVSA-N 1 2 356.495 4.078 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)c3cccnc3)n2)CC1 ZINC000329077430 1094730415 /nfs/dbraw/zinc/73/04/15/1094730415.db2.gz BDSDLKQNMMHUHX-UHFFFAOYSA-N 1 2 358.511 4.336 20 30 FIEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001141901361 1094754406 /nfs/dbraw/zinc/75/44/06/1094754406.db2.gz UJGOOCKKJFNZMS-LJQANCHMSA-N 1 2 371.278 4.364 20 30 FIEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001141901361 1094754413 /nfs/dbraw/zinc/75/44/13/1094754413.db2.gz UJGOOCKKJFNZMS-LJQANCHMSA-N 1 2 371.278 4.364 20 30 FIEDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000329220290 1094786366 /nfs/dbraw/zinc/78/63/66/1094786366.db2.gz SYCRQDOZDGNSPR-UHFFFAOYSA-N 1 2 374.510 4.299 20 30 FIEDLO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329272968 1094809942 /nfs/dbraw/zinc/80/99/42/1094809942.db2.gz JUGAFFCENRRJLT-MRXNPFEDSA-N 1 2 374.872 4.070 20 30 FIEDLO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329272968 1094809963 /nfs/dbraw/zinc/80/99/63/1094809963.db2.gz JUGAFFCENRRJLT-MRXNPFEDSA-N 1 2 374.872 4.070 20 30 FIEDLO O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329432662 1094903873 /nfs/dbraw/zinc/90/38/73/1094903873.db2.gz IAWFGJGVBCUQHE-UHFFFAOYSA-N 1 2 370.472 4.369 20 30 FIEDLO O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329432662 1094903875 /nfs/dbraw/zinc/90/38/75/1094903875.db2.gz IAWFGJGVBCUQHE-UHFFFAOYSA-N 1 2 370.472 4.369 20 30 FIEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329781746 1095263835 /nfs/dbraw/zinc/26/38/35/1095263835.db2.gz NKNMOCPXSWEFLI-CQSZACIVSA-N 1 2 366.889 4.136 20 30 FIEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000329781746 1095263854 /nfs/dbraw/zinc/26/38/54/1095263854.db2.gz NKNMOCPXSWEFLI-CQSZACIVSA-N 1 2 366.889 4.136 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N(Cc1ccccc1)C1CCCCC1 ZINC000329793328 1095266960 /nfs/dbraw/zinc/26/69/60/1095266960.db2.gz AYVWMMBAMHSLRC-UHFFFAOYSA-N 1 2 366.509 4.468 20 30 FIEDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000329795841 1095268529 /nfs/dbraw/zinc/26/85/29/1095268529.db2.gz WPSFGEOKDKMCRJ-UHFFFAOYSA-N 1 2 374.815 4.032 20 30 FIEDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000329795841 1095268541 /nfs/dbraw/zinc/26/85/41/1095268541.db2.gz WPSFGEOKDKMCRJ-UHFFFAOYSA-N 1 2 374.815 4.032 20 30 FIEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000329904798 1095310313 /nfs/dbraw/zinc/31/03/13/1095310313.db2.gz RFWIQIVEWYBBQH-RDNQGFKOSA-N 1 2 356.466 4.338 20 30 FIEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000329904798 1095310330 /nfs/dbraw/zinc/31/03/30/1095310330.db2.gz RFWIQIVEWYBBQH-RDNQGFKOSA-N 1 2 356.466 4.338 20 30 FIEDLO Cc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000329951517 1095327341 /nfs/dbraw/zinc/32/73/41/1095327341.db2.gz MLCGJCNSHLMQSX-DBVUQKKJSA-N 1 2 352.482 4.140 20 30 FIEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330128471 1095388611 /nfs/dbraw/zinc/38/86/11/1095388611.db2.gz NQEILANLJVLKGC-VCOUNFBDSA-N 1 2 374.525 4.000 20 30 FIEDLO CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330128471 1095388625 /nfs/dbraw/zinc/38/86/25/1095388625.db2.gz NQEILANLJVLKGC-VCOUNFBDSA-N 1 2 374.525 4.000 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000330180260 1095407824 /nfs/dbraw/zinc/40/78/24/1095407824.db2.gz FWOQWGACCOFYHK-YLJYHZDGSA-N 1 2 360.461 4.102 20 30 FIEDLO C[C@@]1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCS1 ZINC000330223820 1095425265 /nfs/dbraw/zinc/42/52/65/1095425265.db2.gz ALVIZTQEUOSOQO-FQEVSTJZSA-N 1 2 370.522 4.498 20 30 FIEDLO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330248166 1095433744 /nfs/dbraw/zinc/43/37/44/1095433744.db2.gz ZFGLQYNCCAZMCM-ZDUSSCGKSA-N 1 2 360.408 4.002 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330272905 1095444380 /nfs/dbraw/zinc/44/43/80/1095444380.db2.gz YIIAFWXEYXJUBB-TZMCWYRMSA-N 1 2 364.902 4.054 20 30 FIEDLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000330283616 1095448551 /nfs/dbraw/zinc/44/85/51/1095448551.db2.gz WGZYECQSRKJXCV-JKSUJKDBSA-N 1 2 351.516 4.168 20 30 FIEDLO Cc1ccc(C)c(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000330317470 1095493803 /nfs/dbraw/zinc/49/38/03/1095493803.db2.gz BPCHEXHHMDYYRC-UHFFFAOYSA-N 1 2 352.482 4.261 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272614039 1096197261 /nfs/dbraw/zinc/19/72/61/1096197261.db2.gz SUAYTBLKEVHZCM-NSHDSACASA-N 1 2 373.806 4.311 20 30 FIEDLO COc1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)CC2CC2)c(OC)c1 ZINC000503236363 1096321834 /nfs/dbraw/zinc/32/18/34/1096321834.db2.gz BYYGHAUINUEXIX-UHFFFAOYSA-N 1 2 354.425 4.127 20 30 FIEDLO COc1ccc(C[N@H+](Cc2ccc(F)cc2C#N)CC2CC2)c(OC)c1 ZINC000503236363 1096321842 /nfs/dbraw/zinc/32/18/42/1096321842.db2.gz BYYGHAUINUEXIX-UHFFFAOYSA-N 1 2 354.425 4.127 20 30 FIEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(C)(C#N)CC1 ZINC000503279988 1096339802 /nfs/dbraw/zinc/33/98/02/1096339802.db2.gz KWYSSOIDIOYOLV-UHFFFAOYSA-N 1 2 351.450 4.158 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000664333983 1096544790 /nfs/dbraw/zinc/54/47/90/1096544790.db2.gz UIMZNLKUSUOMEU-HOTGVXAUSA-N 1 2 362.543 4.195 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000664333983 1096544794 /nfs/dbraw/zinc/54/47/94/1096544794.db2.gz UIMZNLKUSUOMEU-HOTGVXAUSA-N 1 2 362.543 4.195 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000120701535 1098787193 /nfs/dbraw/zinc/78/71/93/1098787193.db2.gz NXQIZTACWZQZNF-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1csc(Br)c1 ZINC000120701535 1098787184 /nfs/dbraw/zinc/78/71/84/1098787184.db2.gz NXQIZTACWZQZNF-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533176138 1098826723 /nfs/dbraw/zinc/82/67/23/1098826723.db2.gz PHFUBNXTFRJVFJ-HZPDHXFCSA-N 1 2 365.239 4.256 20 30 FIEDLO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533176138 1098826733 /nfs/dbraw/zinc/82/67/33/1098826733.db2.gz PHFUBNXTFRJVFJ-HZPDHXFCSA-N 1 2 365.239 4.256 20 30 FIEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000505810406 1098983462 /nfs/dbraw/zinc/98/34/62/1098983462.db2.gz ZOTVISOUTZOMMR-FQEVSTJZSA-N 1 2 358.445 4.164 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000533487495 1099107956 /nfs/dbraw/zinc/10/79/56/1099107956.db2.gz NIBHATKRLIWPIB-MAUKXSAKSA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000533487495 1099107958 /nfs/dbraw/zinc/10/79/58/1099107958.db2.gz NIBHATKRLIWPIB-MAUKXSAKSA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533487498 1099109639 /nfs/dbraw/zinc/10/96/39/1099109639.db2.gz NIBHATKRLIWPIB-QAPCUYQASA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533487498 1099109645 /nfs/dbraw/zinc/10/96/45/1099109645.db2.gz NIBHATKRLIWPIB-QAPCUYQASA-N 1 2 368.506 4.042 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505851433 1099152203 /nfs/dbraw/zinc/15/22/03/1099152203.db2.gz MWYULTDLZGFQFQ-UFUQCMIWSA-N 1 2 365.864 4.328 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505851433 1099152209 /nfs/dbraw/zinc/15/22/09/1099152209.db2.gz MWYULTDLZGFQFQ-UFUQCMIWSA-N 1 2 365.864 4.328 20 30 FIEDLO C=C(C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000505960978 1099587502 /nfs/dbraw/zinc/58/75/02/1099587502.db2.gz ZRQGTPBJQRKEML-HXUWFJFHSA-N 1 2 367.399 4.257 20 30 FIEDLO N#C[C@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC12CCCC2 ZINC000516622400 1099662927 /nfs/dbraw/zinc/66/29/27/1099662927.db2.gz VNAPLPUDZLKYFK-QFIPXVFZSA-N 1 2 360.461 4.299 20 30 FIEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000237479517 1099921609 /nfs/dbraw/zinc/92/16/09/1099921609.db2.gz ADEZYKQAGGLCDD-HNNXBMFYSA-N 1 2 365.408 4.129 20 30 FIEDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1OC(F)F ZINC000437434148 1099921723 /nfs/dbraw/zinc/92/17/23/1099921723.db2.gz YYIZCAWZSSMHKG-UHFFFAOYSA-N 1 2 371.181 4.147 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1OC(F)F ZINC000437434148 1099921725 /nfs/dbraw/zinc/92/17/25/1099921725.db2.gz YYIZCAWZSSMHKG-UHFFFAOYSA-N 1 2 371.181 4.147 20 30 FIEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000517782576 1100659131 /nfs/dbraw/zinc/65/91/31/1100659131.db2.gz ROWIHXKRTYROFK-UHFFFAOYSA-N 1 2 373.497 4.495 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918647 1101323874 /nfs/dbraw/zinc/32/38/74/1101323874.db2.gz ZTAYDPOLVKYRTN-RBUKOAKNSA-N 1 2 364.892 4.499 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918647 1101323889 /nfs/dbraw/zinc/32/38/89/1101323889.db2.gz ZTAYDPOLVKYRTN-RBUKOAKNSA-N 1 2 364.892 4.499 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000426376977 1101426971 /nfs/dbraw/zinc/42/69/71/1101426971.db2.gz GYVJVDQQOMVJMP-QGZVFWFLSA-N 1 2 371.481 4.021 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000426376977 1101426981 /nfs/dbraw/zinc/42/69/81/1101426981.db2.gz GYVJVDQQOMVJMP-QGZVFWFLSA-N 1 2 371.481 4.021 20 30 FIEDLO Cc1c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cnn1-c1ccccc1 ZINC000783705882 1101507936 /nfs/dbraw/zinc/50/79/36/1101507936.db2.gz LJSNJRIXOCJRJD-BQYQJAHWSA-N 1 2 360.442 4.324 20 30 FIEDLO C=CC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000111257321 1102496339 /nfs/dbraw/zinc/49/63/39/1102496339.db2.gz QPBTVCJODHLXII-UHFFFAOYSA-N 1 2 351.475 4.050 20 30 FIEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(F)c(F)c1 ZINC000476751982 1102755232 /nfs/dbraw/zinc/75/52/32/1102755232.db2.gz BAJGNDHNQVPGMB-AUUYWEPGSA-N 1 2 373.447 4.350 20 30 FIEDLO C=C(C)[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000476751982 1102755243 /nfs/dbraw/zinc/75/52/43/1102755243.db2.gz BAJGNDHNQVPGMB-AUUYWEPGSA-N 1 2 373.447 4.350 20 30 FIEDLO Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c[nH+]1 ZINC000536575191 1102769295 /nfs/dbraw/zinc/76/92/95/1102769295.db2.gz IDMHTZDXFXIYSV-UHFFFAOYSA-N 1 2 357.413 4.231 20 30 FIEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000532747705 1103161362 /nfs/dbraw/zinc/16/13/62/1103161362.db2.gz LQWXLWUVUWXHCF-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000532747705 1103161363 /nfs/dbraw/zinc/16/13/63/1103161363.db2.gz LQWXLWUVUWXHCF-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO N#C[C@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(Cl)ccc2s1 ZINC000551772739 1103613720 /nfs/dbraw/zinc/61/37/20/1103613720.db2.gz PVKYTYHOWOZLCH-CYBMUJFWSA-N 1 2 352.806 4.087 20 30 FIEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(Cl)ccc2s1 ZINC000551772739 1103613727 /nfs/dbraw/zinc/61/37/27/1103613727.db2.gz PVKYTYHOWOZLCH-CYBMUJFWSA-N 1 2 352.806 4.087 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000507700959 1103629374 /nfs/dbraw/zinc/62/93/74/1103629374.db2.gz YCFYWJHMLLDLBU-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000519869806 1103916336 /nfs/dbraw/zinc/91/63/36/1103916336.db2.gz GCLCLKUJLWVWEK-INIZCTEOSA-N 1 2 367.880 4.077 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000519869806 1103916337 /nfs/dbraw/zinc/91/63/37/1103916337.db2.gz GCLCLKUJLWVWEK-INIZCTEOSA-N 1 2 367.880 4.077 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000441162081 1104173885 /nfs/dbraw/zinc/17/38/85/1104173885.db2.gz CMRUCLTYBOWGJT-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000441162081 1104173890 /nfs/dbraw/zinc/17/38/90/1104173890.db2.gz CMRUCLTYBOWGJT-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000441339038 1104283685 /nfs/dbraw/zinc/28/36/85/1104283685.db2.gz UONMTVHNMRLZQC-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000328652864 1104525283 /nfs/dbraw/zinc/52/52/83/1104525283.db2.gz KTBROKGKKHYIJA-MRXNPFEDSA-N 1 2 370.472 4.346 20 30 FIEDLO CC(C)c1cnc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328657286 1104526143 /nfs/dbraw/zinc/52/61/43/1104526143.db2.gz ORXXCQAJPXHMLY-CQSZACIVSA-N 1 2 373.526 4.224 20 30 FIEDLO Cc1cc([C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)ccc1F ZINC000328898428 1104590273 /nfs/dbraw/zinc/59/02/73/1104590273.db2.gz YBZRMJATMZIOGJ-PNHOKKKMSA-N 1 2 370.472 4.279 20 30 FIEDLO Cc1cc([C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)ccc1F ZINC000328898433 1104590370 /nfs/dbraw/zinc/59/03/70/1104590370.db2.gz YBZRMJATMZIOGJ-VHKYSDTDSA-N 1 2 370.472 4.279 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170974245 1104980113 /nfs/dbraw/zinc/98/01/13/1104980113.db2.gz WVUPRFYUZDVLFF-OAHLLOKOSA-N 1 2 362.458 4.376 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000614598648 1105012809 /nfs/dbraw/zinc/01/28/09/1105012809.db2.gz FICZWMDMVNXDPB-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000614598648 1105012818 /nfs/dbraw/zinc/01/28/18/1105012818.db2.gz FICZWMDMVNXDPB-FQEVSTJZSA-N 1 2 356.416 4.339 20 30 FIEDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000508114518 1105330572 /nfs/dbraw/zinc/33/05/72/1105330572.db2.gz ZSOCWKYOORLTTQ-UHFFFAOYSA-N 1 2 369.490 4.048 20 30 FIEDLO CC1(C)CCCc2cc(C#N)c(NC3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000428097532 1105367401 /nfs/dbraw/zinc/36/74/01/1105367401.db2.gz DUSUGXPOWULZQT-UHFFFAOYSA-N 1 2 361.493 4.043 20 30 FIEDLO C=C(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000444680436 1108082309 /nfs/dbraw/zinc/08/23/09/1108082309.db2.gz OXTPOSYOUPBGGA-GOSISDBHSA-N 1 2 358.348 4.156 20 30 FIEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000444801270 1108181090 /nfs/dbraw/zinc/18/10/90/1108181090.db2.gz KXFLFRIWESEETR-FQEVSTJZSA-N 1 2 367.880 4.055 20 30 FIEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000444801270 1108181096 /nfs/dbraw/zinc/18/10/96/1108181096.db2.gz KXFLFRIWESEETR-FQEVSTJZSA-N 1 2 367.880 4.055 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475627029 1108623253 /nfs/dbraw/zinc/62/32/53/1108623253.db2.gz QQWHGOVUKRAESM-KRWDZBQOSA-N 1 2 352.261 4.381 20 30 FIEDLO Cc1c2c(nc(SCc3c[nH+]cn3Cc3ccccc3)c1C#N)CCC2 ZINC000445599880 1108911590 /nfs/dbraw/zinc/91/15/90/1108911590.db2.gz IXDJIMQTFDFJKI-UHFFFAOYSA-N 1 2 360.486 4.288 20 30 FIEDLO N#Cc1ccccc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475643467 1109286698 /nfs/dbraw/zinc/28/66/98/1109286698.db2.gz VVILCDRYKYJDDP-MRXNPFEDSA-N 1 2 354.759 4.054 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000446769806 1109334109 /nfs/dbraw/zinc/33/41/09/1109334109.db2.gz RWGJUAJRLAEBMN-UHFFFAOYSA-N 1 2 374.488 4.310 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000446769806 1109334114 /nfs/dbraw/zinc/33/41/14/1109334114.db2.gz RWGJUAJRLAEBMN-UHFFFAOYSA-N 1 2 374.488 4.310 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449022202 1109963610 /nfs/dbraw/zinc/96/36/10/1109963610.db2.gz XDOMJNVSVSFDMR-INIZCTEOSA-N 1 2 361.482 4.021 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449022202 1109963612 /nfs/dbraw/zinc/96/36/12/1109963612.db2.gz XDOMJNVSVSFDMR-INIZCTEOSA-N 1 2 361.482 4.021 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000461443334 1111216218 /nfs/dbraw/zinc/21/62/18/1111216218.db2.gz OHRJZPKUEIPZOU-UHFFFAOYSA-N 1 2 361.424 4.105 20 30 FIEDLO COC(=O)c1ccc(COc2ccccc2C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000552086109 1111569201 /nfs/dbraw/zinc/56/92/01/1111569201.db2.gz YCBFIJNTRGOAQU-UHFFFAOYSA-N 1 2 366.461 4.034 20 30 FIEDLO COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000552086109 1111569202 /nfs/dbraw/zinc/56/92/02/1111569202.db2.gz YCBFIJNTRGOAQU-UHFFFAOYSA-N 1 2 366.461 4.034 20 30 FIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000477984691 1111630362 /nfs/dbraw/zinc/63/03/62/1111630362.db2.gz DLLCHMIIKVUCIO-UHFFFAOYSA-N 1 2 363.417 4.211 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000553892290 1112119830 /nfs/dbraw/zinc/11/98/30/1112119830.db2.gz MBWDFYHWBCMSJC-HNNXBMFYSA-N 1 2 362.926 4.403 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000553892290 1112119832 /nfs/dbraw/zinc/11/98/32/1112119832.db2.gz MBWDFYHWBCMSJC-HNNXBMFYSA-N 1 2 362.926 4.403 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC(F)F ZINC000480516770 1112461974 /nfs/dbraw/zinc/46/19/74/1112461974.db2.gz WASAWDAAIAHUNS-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC(F)F ZINC000480516770 1112461976 /nfs/dbraw/zinc/46/19/76/1112461976.db2.gz WASAWDAAIAHUNS-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551434 1112472473 /nfs/dbraw/zinc/47/24/73/1112472473.db2.gz KXFLRDXOSYOGAE-WMZOPIPTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551434 1112472475 /nfs/dbraw/zinc/47/24/75/1112472475.db2.gz KXFLRDXOSYOGAE-WMZOPIPTSA-N 1 2 366.427 4.102 20 30 FIEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000554978328 1112595221 /nfs/dbraw/zinc/59/52/21/1112595221.db2.gz HWKASJMFVFJZQH-AWEZNQCLSA-N 1 2 362.458 4.118 20 30 FIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000159798772 1113236290 /nfs/dbraw/zinc/23/62/90/1113236290.db2.gz IEDBTACNZWYMBP-UHFFFAOYSA-N 1 2 362.408 4.127 20 30 FIEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000237513396 1113303905 /nfs/dbraw/zinc/30/39/05/1113303905.db2.gz ADEZYKQAGGLCDD-OAHLLOKOSA-N 1 2 365.408 4.129 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Br)cn1 ZINC000482975011 1113413368 /nfs/dbraw/zinc/41/33/68/1113413368.db2.gz GOWHREMNVIUTNC-SNVBAGLBSA-N 1 2 350.647 4.220 20 30 FIEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000486723587 1113630103 /nfs/dbraw/zinc/63/01/03/1113630103.db2.gz RRLJKKIZRPVWSD-CABCVRRESA-N 1 2 358.486 4.133 20 30 FIEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)ccc1OC ZINC000486723589 1113630233 /nfs/dbraw/zinc/63/02/33/1113630233.db2.gz RRLJKKIZRPVWSD-HUUCEWRRSA-N 1 2 358.486 4.133 20 30 FIEDLO C#CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000155754830 1113855553 /nfs/dbraw/zinc/85/55/53/1113855553.db2.gz LUKVBWSGCZPXMG-UHFFFAOYSA-N 1 2 363.486 4.029 20 30 FIEDLO C#CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000155754830 1113855556 /nfs/dbraw/zinc/85/55/56/1113855556.db2.gz LUKVBWSGCZPXMG-UHFFFAOYSA-N 1 2 363.486 4.029 20 30 FIEDLO Clc1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)c(Cl)c1 ZINC000912797907 1114207455 /nfs/dbraw/zinc/20/74/55/1114207455.db2.gz PUNDOIRIQZJURD-UHFFFAOYSA-N 1 2 350.249 4.276 20 30 FIEDLO N#CCC1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000571399141 1114462072 /nfs/dbraw/zinc/46/20/72/1114462072.db2.gz WZIJMKJYTDZPDA-UHFFFAOYSA-N 1 2 363.465 4.044 20 30 FIEDLO C=CCc1cc(OC)cc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000164439921 1114495577 /nfs/dbraw/zinc/49/55/77/1114495577.db2.gz YFMFZZTZGGFABX-UHFFFAOYSA-N 1 2 372.412 4.237 20 30 FIEDLO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000164439921 1114495584 /nfs/dbraw/zinc/49/55/84/1114495584.db2.gz YFMFZZTZGGFABX-UHFFFAOYSA-N 1 2 372.412 4.237 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)Cc1ccccc1F ZINC000589597627 1114815823 /nfs/dbraw/zinc/81/58/23/1114815823.db2.gz QNCHQCKNQAZKHQ-UHFFFAOYSA-N 1 2 354.469 4.400 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)Cc1ccccc1F ZINC000589597627 1114815827 /nfs/dbraw/zinc/81/58/27/1114815827.db2.gz QNCHQCKNQAZKHQ-UHFFFAOYSA-N 1 2 354.469 4.400 20 30 FIEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000591760823 1115126445 /nfs/dbraw/zinc/12/64/45/1115126445.db2.gz ZURVOKJPNHBAFD-SMDDNHRTSA-N 1 2 374.204 4.476 20 30 FIEDLO Cc1nn(-c2ccccc2F)cc1CNc1[nH+]cccc1OCCCC#N ZINC000593945498 1115354815 /nfs/dbraw/zinc/35/48/15/1115354815.db2.gz XAHJBKSDOLEUEJ-UHFFFAOYSA-N 1 2 365.412 4.010 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1F ZINC000046529420 1115413245 /nfs/dbraw/zinc/41/32/45/1115413245.db2.gz IFJOBHMBERKSEA-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1F ZINC000046529420 1115413247 /nfs/dbraw/zinc/41/32/47/1115413247.db2.gz IFJOBHMBERKSEA-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046519220 1115418056 /nfs/dbraw/zinc/41/80/56/1115418056.db2.gz QDOFIXWFUJZIPP-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046519220 1115418065 /nfs/dbraw/zinc/41/80/65/1115418065.db2.gz QDOFIXWFUJZIPP-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Br)cc3Cl)CC2)c1 ZINC000595416127 1115534704 /nfs/dbraw/zinc/53/47/04/1115534704.db2.gz GVTFVFRDYLOSDX-UHFFFAOYSA-N 1 2 362.658 4.148 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612010 1115553523 /nfs/dbraw/zinc/55/35/23/1115553523.db2.gz RIZUTEFNVUKFNG-OXJNMPFZSA-N 1 2 351.425 4.131 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612010 1115553527 /nfs/dbraw/zinc/55/35/27/1115553527.db2.gz RIZUTEFNVUKFNG-OXJNMPFZSA-N 1 2 351.425 4.131 20 30 FIEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F ZINC000595686281 1115556339 /nfs/dbraw/zinc/55/63/39/1115556339.db2.gz VIZHAIICAACLLP-IBGZPJMESA-N 1 2 350.397 4.234 20 30 FIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597318071 1115658581 /nfs/dbraw/zinc/65/85/81/1115658581.db2.gz HQHAXTIFUMMQIQ-UHFFFAOYSA-N 1 2 368.525 4.011 20 30 FIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000597426916 1115664771 /nfs/dbraw/zinc/66/47/71/1115664771.db2.gz NCAJIELGYRRWNF-FQEVSTJZSA-N 1 2 364.493 4.222 20 30 FIEDLO CCC(C#N)(CC)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000599057109 1115785211 /nfs/dbraw/zinc/78/52/11/1115785211.db2.gz CVLICGTXXWYSMP-MRXNPFEDSA-N 1 2 365.880 4.062 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccsc3C2)ccc1Cl ZINC000534863708 1116246388 /nfs/dbraw/zinc/24/63/88/1116246388.db2.gz KBAPAQUSHNUUSL-UHFFFAOYSA-N 1 2 373.909 4.015 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCc3ccsc3C2)ccc1Cl ZINC000534863708 1116246390 /nfs/dbraw/zinc/24/63/90/1116246390.db2.gz KBAPAQUSHNUUSL-UHFFFAOYSA-N 1 2 373.909 4.015 20 30 FIEDLO C=CC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000535083924 1116265883 /nfs/dbraw/zinc/26/58/83/1116265883.db2.gz WEPJPIRNDHFXQU-UHFFFAOYSA-N 1 2 362.433 4.028 20 30 FIEDLO C=CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000535083924 1116265885 /nfs/dbraw/zinc/26/58/85/1116265885.db2.gz WEPJPIRNDHFXQU-UHFFFAOYSA-N 1 2 362.433 4.028 20 30 FIEDLO Cc1cc(C)c2ncc(C#N)c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000462387630 1116344825 /nfs/dbraw/zinc/34/48/25/1116344825.db2.gz HIJLPTSWMKTYNP-UHFFFAOYSA-N 1 2 371.419 4.082 20 30 FIEDLO N#Cc1ccc(Br)c(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463426618 1118149392 /nfs/dbraw/zinc/14/93/92/1118149392.db2.gz PDJKABBEHRPKID-UHFFFAOYSA-N 1 2 369.262 4.074 20 30 FIEDLO N#Cc1ccc(Br)c(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463426618 1118149394 /nfs/dbraw/zinc/14/93/94/1118149394.db2.gz PDJKABBEHRPKID-UHFFFAOYSA-N 1 2 369.262 4.074 20 30 FIEDLO CCCCn1c(SCc2ccc(CC#N)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000541265105 1118451388 /nfs/dbraw/zinc/45/13/88/1118451388.db2.gz ZCAQERYUCXKKRR-SFHVURJKSA-N 1 2 371.554 4.449 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](c2ccco2)C1 ZINC000464847744 1118721027 /nfs/dbraw/zinc/72/10/27/1118721027.db2.gz GPUUXSDMDHFJOW-GUYCJALGSA-N 1 2 357.841 4.216 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](c2ccco2)C1 ZINC000464847744 1118721029 /nfs/dbraw/zinc/72/10/29/1118721029.db2.gz GPUUXSDMDHFJOW-GUYCJALGSA-N 1 2 357.841 4.216 20 30 FIEDLO N#Cc1cc(Br)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542120105 1118802462 /nfs/dbraw/zinc/80/24/62/1118802462.db2.gz VTXODKYKYKCNPW-UHFFFAOYSA-N 1 2 373.298 4.214 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189767701 1119915951 /nfs/dbraw/zinc/91/59/51/1119915951.db2.gz ORSIGHVLGJNNAL-SJORKVTESA-N 1 2 350.865 4.087 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189767701 1119915952 /nfs/dbraw/zinc/91/59/52/1119915952.db2.gz ORSIGHVLGJNNAL-SJORKVTESA-N 1 2 350.865 4.087 20 30 FIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1cccnc1 ZINC000191734559 1119993375 /nfs/dbraw/zinc/99/33/75/1119993375.db2.gz MILZMKVDQNIPLO-UHFFFAOYSA-N 1 2 374.473 4.004 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761757005 1120344142 /nfs/dbraw/zinc/34/41/42/1120344142.db2.gz FNAHIUJERYYYFI-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761757005 1120344147 /nfs/dbraw/zinc/34/41/47/1120344147.db2.gz FNAHIUJERYYYFI-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761761406 1120356721 /nfs/dbraw/zinc/35/67/21/1120356721.db2.gz ZEAWNHCQEGRYRB-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761761406 1120356725 /nfs/dbraw/zinc/35/67/25/1120356725.db2.gz ZEAWNHCQEGRYRB-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000915203049 1120868172 /nfs/dbraw/zinc/86/81/72/1120868172.db2.gz SCWGYQUOEZTSHR-UHFFFAOYSA-N 1 2 356.539 4.269 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000915203049 1120868179 /nfs/dbraw/zinc/86/81/79/1120868179.db2.gz SCWGYQUOEZTSHR-UHFFFAOYSA-N 1 2 356.539 4.269 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H](CC)C2)c1=S ZINC000915209982 1120875719 /nfs/dbraw/zinc/87/57/19/1120875719.db2.gz WOKURSJSPILQCV-QGZVFWFLSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H](CC)C2)c1=S ZINC000915209982 1120875723 /nfs/dbraw/zinc/87/57/23/1120875723.db2.gz WOKURSJSPILQCV-QGZVFWFLSA-N 1 2 356.539 4.270 20 30 FIEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc(Br)ccc3F)n21 ZINC000763121679 1121145471 /nfs/dbraw/zinc/14/54/71/1121145471.db2.gz IHRSRDRYPBXYIY-SOFGYWHQSA-N 1 2 359.198 4.440 20 30 FIEDLO N#CC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000123741325 1121442364 /nfs/dbraw/zinc/44/23/64/1121442364.db2.gz MZIBSELYZFEUAL-UHFFFAOYSA-N 1 2 355.369 4.262 20 30 FIEDLO C(=[NH+]Nc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000916246084 1121456351 /nfs/dbraw/zinc/45/63/51/1121456351.db2.gz YVJROGVLXCVSRM-UHFFFAOYSA-N 1 2 364.474 4.093 20 30 FIEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040789 1122012489 /nfs/dbraw/zinc/01/24/89/1122012489.db2.gz VGQUOZZLHGSOJH-RHSMWYFYSA-N 1 2 361.470 4.092 20 30 FIEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040789 1122012497 /nfs/dbraw/zinc/01/24/97/1122012497.db2.gz VGQUOZZLHGSOJH-RHSMWYFYSA-N 1 2 361.470 4.092 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000556623130 1123009521 /nfs/dbraw/zinc/00/95/21/1123009521.db2.gz UCNRSBGMTULDOG-DYVFJYSZSA-N 1 2 364.474 4.001 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609555288 1123755373 /nfs/dbraw/zinc/75/53/73/1123755373.db2.gz CYTDBDXNIWCGOI-HOTGVXAUSA-N 1 2 369.494 4.004 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609555997 1123755678 /nfs/dbraw/zinc/75/56/78/1123755678.db2.gz QWURVTZMAQBKFF-HOTGVXAUSA-N 1 2 369.494 4.146 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000301432894 1124230027 /nfs/dbraw/zinc/23/00/27/1124230027.db2.gz GRIOECYEFORUGR-UHFFFAOYSA-N 1 2 371.488 4.253 20 30 FIEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000301635551 1124248017 /nfs/dbraw/zinc/24/80/17/1124248017.db2.gz DYQNNVPILMVJBN-CQSZACIVSA-N 1 2 351.410 4.292 20 30 FIEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000301635551 1124248027 /nfs/dbraw/zinc/24/80/27/1124248027.db2.gz DYQNNVPILMVJBN-CQSZACIVSA-N 1 2 351.410 4.292 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000302119466 1124284844 /nfs/dbraw/zinc/28/48/44/1124284844.db2.gz SYYBAWOWKRJVAH-OAHLLOKOSA-N 1 2 367.880 4.297 20 30 FIEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075642101 1124911228 /nfs/dbraw/zinc/91/12/28/1124911228.db2.gz UFPHYKNBTFFIRZ-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075642101 1124911232 /nfs/dbraw/zinc/91/12/32/1124911232.db2.gz UFPHYKNBTFFIRZ-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075637940 1124911350 /nfs/dbraw/zinc/91/13/50/1124911350.db2.gz HZGSRYXGZKNNFK-MRXNPFEDSA-N 1 2 350.447 4.179 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075637940 1124911354 /nfs/dbraw/zinc/91/13/54/1124911354.db2.gz HZGSRYXGZKNNFK-MRXNPFEDSA-N 1 2 350.447 4.179 20 30 FIEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1CC)Cc1cccs1 ZINC000252017322 1125052415 /nfs/dbraw/zinc/05/24/15/1125052415.db2.gz WHMYIPIYQBGOGH-QGZVFWFLSA-N 1 2 360.548 4.334 20 30 FIEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1CC)Cc1cccs1 ZINC000252017322 1125052424 /nfs/dbraw/zinc/05/24/24/1125052424.db2.gz WHMYIPIYQBGOGH-QGZVFWFLSA-N 1 2 360.548 4.334 20 30 FIEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cccc1Cl ZINC000181744692 1125123516 /nfs/dbraw/zinc/12/35/16/1125123516.db2.gz PJPJFMMFYJDTGM-JTQLQIEISA-N 1 2 366.223 4.293 20 30 FIEDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(OCCCC#N)c1 ZINC000093336013 1125304494 /nfs/dbraw/zinc/30/44/94/1125304494.db2.gz XSGAARFWZSDAPU-UHFFFAOYSA-N 1 2 355.507 4.336 20 30 FIEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(OCCCC#N)c1 ZINC000093336013 1125304503 /nfs/dbraw/zinc/30/45/03/1125304503.db2.gz XSGAARFWZSDAPU-UHFFFAOYSA-N 1 2 355.507 4.336 20 30 FIEDLO C=C(C)[C@H]([NH2+]Cc1cnc(C(=O)OCC)s1)c1ccc(F)c(F)c1 ZINC000602817363 568043943 /nfs/dbraw/zinc/04/39/43/568043943.db2.gz JUGAPJBXUIPDBZ-HNNXBMFYSA-N 1 2 352.406 4.005 20 30 FIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000603498257 568112399 /nfs/dbraw/zinc/11/23/99/568112399.db2.gz LRWRPIDBBZVHFA-SJKOYZFVSA-N 1 2 356.297 4.041 20 30 FIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000603498257 568112400 /nfs/dbraw/zinc/11/24/00/568112400.db2.gz LRWRPIDBBZVHFA-SJKOYZFVSA-N 1 2 356.297 4.041 20 30 FIEDLO COc1c(C)cnc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC000569044881 568281163 /nfs/dbraw/zinc/28/11/63/568281163.db2.gz UQNRGGLDEZDPGW-UHFFFAOYSA-N 1 2 363.383 4.230 20 30 FIEDLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC000569044881 568281165 /nfs/dbraw/zinc/28/11/65/568281165.db2.gz UQNRGGLDEZDPGW-UHFFFAOYSA-N 1 2 363.383 4.230 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000584701959 568349392 /nfs/dbraw/zinc/34/93/92/568349392.db2.gz ZWDFZEKPASTYQH-MRXNPFEDSA-N 1 2 359.882 4.439 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000584701959 568349393 /nfs/dbraw/zinc/34/93/93/568349393.db2.gz ZWDFZEKPASTYQH-MRXNPFEDSA-N 1 2 359.882 4.439 20 30 FIEDLO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570055536 568449004 /nfs/dbraw/zinc/44/90/04/568449004.db2.gz YZVCFGLKYKQMEC-KRWDZBQOSA-N 1 2 372.266 4.061 20 30 FIEDLO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570055536 568449002 /nfs/dbraw/zinc/44/90/02/568449002.db2.gz YZVCFGLKYKQMEC-KRWDZBQOSA-N 1 2 372.266 4.061 20 30 FIEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000570606497 568490715 /nfs/dbraw/zinc/49/07/15/568490715.db2.gz SMRFEPNOSKNFSY-INIZCTEOSA-N 1 2 355.511 4.165 20 30 FIEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000570606497 568490716 /nfs/dbraw/zinc/49/07/16/568490716.db2.gz SMRFEPNOSKNFSY-INIZCTEOSA-N 1 2 355.511 4.165 20 30 FIEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979612 722170062 /nfs/dbraw/zinc/17/00/62/722170062.db2.gz UWGWLKFOKKGDHB-FXAWDEMLSA-N 1 2 364.917 4.044 20 30 FIEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979612 722170064 /nfs/dbraw/zinc/17/00/64/722170064.db2.gz UWGWLKFOKKGDHB-FXAWDEMLSA-N 1 2 364.917 4.044 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001143373177 1079744915 /nfs/dbraw/zinc/74/49/15/1079744915.db2.gz UFURGMRPJDRVTD-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001143373177 1079744922 /nfs/dbraw/zinc/74/49/22/1079744922.db2.gz UFURGMRPJDRVTD-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1cccc(C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]2CCCO2)c1 ZINC001167187400 1080812377 /nfs/dbraw/zinc/81/23/77/1080812377.db2.gz QDJUYEBNQHIPJV-NRFANRHFSA-N 1 2 370.880 4.401 20 30 FIEDLO COc1cccc(C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]2CCCO2)c1 ZINC001167187400 1080812382 /nfs/dbraw/zinc/81/23/82/1080812382.db2.gz QDJUYEBNQHIPJV-NRFANRHFSA-N 1 2 370.880 4.401 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275419877 1080899725 /nfs/dbraw/zinc/89/97/25/1080899725.db2.gz FSURUBDTEAVELJ-LBPRGKRZSA-N 1 2 356.376 4.162 20 30 FIEDLO COc1cccc(C([NH2+]Cc2ccccc2C#N)c2cccc(OC)c2)c1 ZINC000176866586 1081147948 /nfs/dbraw/zinc/14/79/48/1081147948.db2.gz GDGBRYLRZSVQHZ-UHFFFAOYSA-N 1 2 358.441 4.455 20 30 FIEDLO COc1cccc([C@H](C)[NH+]2CCN(CCCCC3(C#N)CCC3)CC2)c1 ZINC001167360371 1081718037 /nfs/dbraw/zinc/71/80/37/1081718037.db2.gz MBSRYFSVCBWFSB-IBGZPJMESA-N 1 2 355.526 4.238 20 30 FIEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000121207528 1081916568 /nfs/dbraw/zinc/91/65/68/1081916568.db2.gz HOXRVWLXEGXDDW-KRWDZBQOSA-N 1 2 359.813 4.046 20 30 FIEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000121207528 1081916573 /nfs/dbraw/zinc/91/65/73/1081916573.db2.gz HOXRVWLXEGXDDW-KRWDZBQOSA-N 1 2 359.813 4.046 20 30 FIEDLO Cc1ccc2[nH+]cc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)n2c1 ZINC000581221036 1082382323 /nfs/dbraw/zinc/38/23/23/1082382323.db2.gz UETQZAFTVZIVMX-UHFFFAOYSA-N 1 2 355.401 4.314 20 30 FIEDLO COc1ccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1C#N ZINC000178194326 1082962300 /nfs/dbraw/zinc/96/23/00/1082962300.db2.gz ZAULGMRYZOICQD-UHFFFAOYSA-N 1 2 358.445 4.379 20 30 FIEDLO N#Cc1ccc2ncc(CNc3ccc(-c4[nH+]cc5n4CCCC5)cc3)n2c1 ZINC000178194431 1082965241 /nfs/dbraw/zinc/96/52/41/1082965241.db2.gz GQBBPIZIBOQEAA-UHFFFAOYSA-N 1 2 368.444 4.018 20 30 FIEDLO O=C1C[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)CN1Cc1ccccc1 ZINC000179366038 1083400810 /nfs/dbraw/zinc/40/08/10/1083400810.db2.gz LDSOELVGYOJCGT-SDCZFJSOSA-N 1 2 358.441 4.013 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324264 1083720806 /nfs/dbraw/zinc/72/08/06/1083720806.db2.gz KFCBXAPHHAYYHV-UHFFFAOYSA-N 1 2 370.522 4.031 20 30 FIEDLO Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@](C)(C#N)C4)cc3)nc12 ZINC000612406503 1083773970 /nfs/dbraw/zinc/77/39/70/1083773970.db2.gz NUZBPNPSAFSSCV-HSZRJFAPSA-N 1 2 374.488 4.347 20 30 FIEDLO Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@](C)(C#N)C4)cc3)nc12 ZINC000612406503 1083773982 /nfs/dbraw/zinc/77/39/82/1083773982.db2.gz NUZBPNPSAFSSCV-HSZRJFAPSA-N 1 2 374.488 4.347 20 30 FIEDLO CC(C)(C#N)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000612585945 1083928013 /nfs/dbraw/zinc/92/80/13/1083928013.db2.gz ZQBMHNKKVPVBHM-UHFFFAOYSA-N 1 2 374.282 4.062 20 30 FIEDLO O=C1C[C@@H](C/[NH+]=C\c2c(O)ccc3ccccc32)CN1Cc1ccccc1 ZINC000255871258 1084070462 /nfs/dbraw/zinc/07/04/62/1084070462.db2.gz LDSOELVGYOJCGT-SMNNTEATSA-N 1 2 358.441 4.013 20 30 FIEDLO COCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000579965365 1084308721 /nfs/dbraw/zinc/30/87/21/1084308721.db2.gz ZVBHULFJTVFWJZ-AWEZNQCLSA-N 1 2 356.278 4.189 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000609384873 1084370605 /nfs/dbraw/zinc/37/06/05/1084370605.db2.gz MWEKFSPDFFNJIT-AWEZNQCLSA-N 1 2 359.520 4.213 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000609384873 1084370614 /nfs/dbraw/zinc/37/06/14/1084370614.db2.gz MWEKFSPDFFNJIT-AWEZNQCLSA-N 1 2 359.520 4.213 20 30 FIEDLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000581220199 1084522392 /nfs/dbraw/zinc/52/23/92/1084522392.db2.gz LJFCXZXSPPWGJV-CQSZACIVSA-N 1 2 359.495 4.443 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1F ZINC000127512650 1084925380 /nfs/dbraw/zinc/92/53/80/1084925380.db2.gz AAGWRZNFDLLIMH-KBPBESRZSA-N 1 2 350.397 4.468 20 30 FIEDLO C=C(C)[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187795712 1084966926 /nfs/dbraw/zinc/96/69/26/1084966926.db2.gz GVXNMNSWDYATQT-GOSISDBHSA-N 1 2 366.339 4.428 20 30 FIEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+](CCC#N)CC3CC3)c21 ZINC000093091420 1085302871 /nfs/dbraw/zinc/30/28/71/1085302871.db2.gz TUCNQTQPVMJMGU-UHFFFAOYSA-N 1 2 355.482 4.110 20 30 FIEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+](CCC#N)CC3CC3)c21 ZINC000093091420 1085302881 /nfs/dbraw/zinc/30/28/81/1085302881.db2.gz TUCNQTQPVMJMGU-UHFFFAOYSA-N 1 2 355.482 4.110 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046518962 1085412586 /nfs/dbraw/zinc/41/25/86/1085412586.db2.gz LKUJPVRSZDLONT-UHFFFAOYSA-N 1 2 371.440 4.421 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046518962 1085412598 /nfs/dbraw/zinc/41/25/98/1085412598.db2.gz LKUJPVRSZDLONT-UHFFFAOYSA-N 1 2 371.440 4.421 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H](C)COC ZINC000661243400 1085478446 /nfs/dbraw/zinc/47/84/46/1085478446.db2.gz JVVXQWJAYSXWGH-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H](C)COC ZINC000661243400 1085478457 /nfs/dbraw/zinc/47/84/57/1085478457.db2.gz JVVXQWJAYSXWGH-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661418833 1085558920 /nfs/dbraw/zinc/55/89/20/1085558920.db2.gz LYZVIVJTEJSRDO-YLJYHZDGSA-N 1 2 370.541 4.243 20 30 FIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661419730 1085564483 /nfs/dbraw/zinc/56/44/83/1085564483.db2.gz PWDRGQSQOBSBNT-HBFSDRIKSA-N 1 2 370.541 4.243 20 30 FIEDLO CC1(C)C[C@@H]([N@H+](Cc2nc(C#N)cs2)Cc2ccccc2)C(C)(C)O1 ZINC000583056207 1086108100 /nfs/dbraw/zinc/10/81/00/1086108100.db2.gz DVMAPZFKGMPYIW-QGZVFWFLSA-N 1 2 355.507 4.363 20 30 FIEDLO CC1(C)C[C@@H]([N@@H+](Cc2nc(C#N)cs2)Cc2ccccc2)C(C)(C)O1 ZINC000583056207 1086108107 /nfs/dbraw/zinc/10/81/07/1086108107.db2.gz DVMAPZFKGMPYIW-QGZVFWFLSA-N 1 2 355.507 4.363 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000662085664 1086110412 /nfs/dbraw/zinc/11/04/12/1086110412.db2.gz IMOOQMNTDKUSAY-BETUJISGSA-N 1 2 353.447 4.340 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000662085664 1086110424 /nfs/dbraw/zinc/11/04/24/1086110424.db2.gz IMOOQMNTDKUSAY-BETUJISGSA-N 1 2 353.447 4.340 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562221 1086556164 /nfs/dbraw/zinc/55/61/64/1086556164.db2.gz IVTGTGBPYIVOAN-KRWDZBQOSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728562221 1086556171 /nfs/dbraw/zinc/55/61/71/1086556171.db2.gz IVTGTGBPYIVOAN-KRWDZBQOSA-N 1 2 358.486 4.238 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563913 1086633084 /nfs/dbraw/zinc/63/30/84/1086633084.db2.gz XIZPKMHJDGEIFF-SFHVURJKSA-N 1 2 354.523 4.407 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728563913 1086633089 /nfs/dbraw/zinc/63/30/89/1086633089.db2.gz XIZPKMHJDGEIFF-SFHVURJKSA-N 1 2 354.523 4.407 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000512074770 1086739172 /nfs/dbraw/zinc/73/91/72/1086739172.db2.gz UZXHWXMITKTRAA-UHFFFAOYSA-N 1 2 373.359 4.256 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000512074770 1086739182 /nfs/dbraw/zinc/73/91/82/1086739182.db2.gz UZXHWXMITKTRAA-UHFFFAOYSA-N 1 2 373.359 4.256 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000329634286 1087121631 /nfs/dbraw/zinc/12/16/31/1087121631.db2.gz TTZNQONGXVYPLY-VQIMIIECSA-N 1 2 372.900 4.452 20 30 FIEDLO C=CCC[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000187809133 1088222967 /nfs/dbraw/zinc/22/29/67/1088222967.db2.gz AQMLOLOWRAYLCK-JOCHJYFZSA-N 1 2 373.500 4.340 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513996212 1088601263 /nfs/dbraw/zinc/60/12/63/1088601263.db2.gz GABWCQIQWLIRTB-UZLBHIALSA-N 1 2 354.881 4.173 20 30 FIEDLO CCC(CC)CN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425179157 1089027578 /nfs/dbraw/zinc/02/75/78/1089027578.db2.gz OXGAWISXQHYQJH-IBGZPJMESA-N 1 2 352.482 4.110 20 30 FIEDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cc(C#N)ccc1F ZINC000434981163 1089180691 /nfs/dbraw/zinc/18/06/91/1089180691.db2.gz DHFSDOPLXRSNNE-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cc(C#N)ccc1F ZINC000434981163 1089180696 /nfs/dbraw/zinc/18/06/96/1089180696.db2.gz DHFSDOPLXRSNNE-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO N#CCCC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000425312753 1089452696 /nfs/dbraw/zinc/45/26/96/1089452696.db2.gz KPBVGSUOQJBHPN-LEWJYISDSA-N 1 2 372.472 4.483 20 30 FIEDLO COc1cncc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000515015727 1089718957 /nfs/dbraw/zinc/71/89/57/1089718957.db2.gz VWVBPUWKNWLUSX-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000515015727 1089718967 /nfs/dbraw/zinc/71/89/67/1089718967.db2.gz VWVBPUWKNWLUSX-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO N#CCCC[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000431934040 1090778552 /nfs/dbraw/zinc/77/85/52/1090778552.db2.gz CWURNGNGDDNSMD-OAQYLSRUSA-N 1 2 373.460 4.107 20 30 FIEDLO CC1(C)CCCc2cc(C#N)c(NCc3cccc(Cn4cc[nH+]c4)c3)nc21 ZINC000428109883 1092203791 /nfs/dbraw/zinc/20/37/91/1092203791.db2.gz ZDHFJRWPFNDDMM-UHFFFAOYSA-N 1 2 371.488 4.424 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000512422181 1092290910 /nfs/dbraw/zinc/29/09/10/1092290910.db2.gz XSNMXVHQABIWHH-QGZVFWFLSA-N 1 2 370.493 4.301 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000512422181 1092290918 /nfs/dbraw/zinc/29/09/18/1092290918.db2.gz XSNMXVHQABIWHH-QGZVFWFLSA-N 1 2 370.493 4.301 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442888226 1092841750 /nfs/dbraw/zinc/84/17/50/1092841750.db2.gz FSCLTWZQIJWCQC-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442888226 1092841755 /nfs/dbraw/zinc/84/17/55/1092841755.db2.gz FSCLTWZQIJWCQC-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(COc2ccc(F)cc2)no1 ZINC000521685886 1092868156 /nfs/dbraw/zinc/86/81/56/1092868156.db2.gz HZMQPAINGQRZEY-UHFFFAOYSA-N 1 2 367.424 4.018 20 30 FIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(COc2ccc(F)cc2)no1 ZINC000521685886 1092868165 /nfs/dbraw/zinc/86/81/65/1092868165.db2.gz HZMQPAINGQRZEY-UHFFFAOYSA-N 1 2 367.424 4.018 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)sc1C ZINC000512564804 1092936124 /nfs/dbraw/zinc/93/61/24/1092936124.db2.gz MQIHKLYAGPXLFF-UHFFFAOYSA-N 1 2 361.511 4.199 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)sc1C ZINC000512564804 1092936129 /nfs/dbraw/zinc/93/61/29/1092936129.db2.gz MQIHKLYAGPXLFF-UHFFFAOYSA-N 1 2 361.511 4.199 20 30 FIEDLO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)cc1F ZINC000512654261 1093082408 /nfs/dbraw/zinc/08/24/08/1093082408.db2.gz KUUVVQISYWCHRO-JTQLQIEISA-N 1 2 351.194 4.450 20 30 FIEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)sc1Br ZINC000453272384 1093173088 /nfs/dbraw/zinc/17/30/88/1093173088.db2.gz USLCORRGDOSGMV-MRVPVSSYSA-N 1 2 354.248 4.076 20 30 FIEDLO CC(C)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(C2CC2)no1 ZINC000113356755 1093305210 /nfs/dbraw/zinc/30/52/10/1093305210.db2.gz KQGOILBNVCYTDU-SFHVURJKSA-N 1 2 354.454 4.116 20 30 FIEDLO CCCc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 ZINC000512828706 1093405769 /nfs/dbraw/zinc/40/57/69/1093405769.db2.gz QSNXBGZUMOWJST-UHFFFAOYSA-N 1 2 359.470 4.150 20 30 FIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000433236665 1093461678 /nfs/dbraw/zinc/46/16/78/1093461678.db2.gz ZVKUCGOIQKFQIN-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000433236665 1093461686 /nfs/dbraw/zinc/46/16/86/1093461686.db2.gz ZVKUCGOIQKFQIN-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CC)c1nc2ccccc2s1)Cc1ccccc1 ZINC000433275644 1093527251 /nfs/dbraw/zinc/52/72/51/1093527251.db2.gz QURCADPPRHGCPC-UHFFFAOYSA-N 1 2 365.502 4.337 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CC)c1nc2ccccc2s1)Cc1ccccc1 ZINC000433275644 1093527259 /nfs/dbraw/zinc/52/72/59/1093527259.db2.gz QURCADPPRHGCPC-UHFFFAOYSA-N 1 2 365.502 4.337 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509839208 1093532116 /nfs/dbraw/zinc/53/21/16/1093532116.db2.gz NTKPDCFBJULDTC-CYBMUJFWSA-N 1 2 367.287 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509839208 1093532123 /nfs/dbraw/zinc/53/21/23/1093532123.db2.gz NTKPDCFBJULDTC-CYBMUJFWSA-N 1 2 367.287 4.004 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001141816808 1093596813 /nfs/dbraw/zinc/59/68/13/1093596813.db2.gz MRLYSDCKODROCF-MRXNPFEDSA-N 1 2 351.263 4.425 20 30 FIEDLO CC1(C)CCC2(CC[NH+](Cc3ccc(Br)cc3C#N)CC2)O1 ZINC001141816920 1093598052 /nfs/dbraw/zinc/59/80/52/1093598052.db2.gz PNFJROHOEPMHAL-UHFFFAOYSA-N 1 2 363.299 4.244 20 30 FIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474276656 1093645417 /nfs/dbraw/zinc/64/54/17/1093645417.db2.gz KTHFIXANLROGNO-VIFPVBQESA-N 1 2 351.166 4.082 20 30 FIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474276656 1093645423 /nfs/dbraw/zinc/64/54/23/1093645423.db2.gz KTHFIXANLROGNO-VIFPVBQESA-N 1 2 351.166 4.082 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)ccc1F ZINC000614405815 1093824451 /nfs/dbraw/zinc/82/44/51/1093824451.db2.gz HQPFKDGTTDJLLT-AWEZNQCLSA-N 1 2 350.397 4.215 20 30 FIEDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc4ccccc4n3CC#N)c2)[nH+]c1C ZINC000729338597 1093966445 /nfs/dbraw/zinc/96/64/45/1093966445.db2.gz IESUGRUZNWXBFZ-UHFFFAOYSA-N 1 2 369.428 4.424 20 30 FIEDLO C=CCOc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000474739049 1094547097 /nfs/dbraw/zinc/54/70/97/1094547097.db2.gz UZWLZZNAWBMMFA-UHFFFAOYSA-N 1 2 350.231 4.443 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000501204631 1094559507 /nfs/dbraw/zinc/55/95/07/1094559507.db2.gz OKTDAXCHIQUPDB-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000501204631 1094559518 /nfs/dbraw/zinc/55/95/18/1094559518.db2.gz OKTDAXCHIQUPDB-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO N#CCCCOc1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000430037475 1094588264 /nfs/dbraw/zinc/58/82/64/1094588264.db2.gz IFZAEABIBCOIOG-UHFFFAOYSA-N 1 2 352.331 4.215 20 30 FIEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329056205 1094724590 /nfs/dbraw/zinc/72/45/90/1094724590.db2.gz SOBVDQXPDKWUTF-QGZVFWFLSA-N 1 2 371.525 4.093 20 30 FIEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329056205 1094724600 /nfs/dbraw/zinc/72/46/00/1094724600.db2.gz SOBVDQXPDKWUTF-QGZVFWFLSA-N 1 2 371.525 4.093 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056219 1094725132 /nfs/dbraw/zinc/72/51/32/1094725132.db2.gz SOKAIUJUVVSREU-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056219 1094725146 /nfs/dbraw/zinc/72/51/46/1094725146.db2.gz SOKAIUJUVVSREU-GXSJLCMTSA-N 1 2 369.252 4.151 20 30 FIEDLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001268921460 1094787932 /nfs/dbraw/zinc/78/79/32/1094787932.db2.gz DLIJOEPGEZRFAC-IAGOWNOFSA-N 1 2 358.445 4.250 20 30 FIEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247431 1094796661 /nfs/dbraw/zinc/79/66/61/1094796661.db2.gz WBYGBEJCENKGPP-CJNGLKHVSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247431 1094796678 /nfs/dbraw/zinc/79/66/78/1094796678.db2.gz WBYGBEJCENKGPP-CJNGLKHVSA-N 1 2 356.495 4.088 20 30 FIEDLO CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329251919 1094798758 /nfs/dbraw/zinc/79/87/58/1094798758.db2.gz VDLLOUJOIDICKZ-STQMWFEESA-N 1 2 358.511 4.341 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329270970 1094810913 /nfs/dbraw/zinc/81/09/13/1094810913.db2.gz HUKUAYFRDHINHR-WOJBJXKFSA-N 1 2 368.456 4.037 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329270970 1094810931 /nfs/dbraw/zinc/81/09/31/1094810931.db2.gz HUKUAYFRDHINHR-WOJBJXKFSA-N 1 2 368.456 4.037 20 30 FIEDLO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329292267 1094824169 /nfs/dbraw/zinc/82/41/69/1094824169.db2.gz RCPLLMDEYRFCGF-LJQANCHMSA-N 1 2 352.482 4.435 20 30 FIEDLO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329292267 1094824189 /nfs/dbraw/zinc/82/41/89/1094824189.db2.gz RCPLLMDEYRFCGF-LJQANCHMSA-N 1 2 352.482 4.435 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000513725872 1095038352 /nfs/dbraw/zinc/03/83/52/1095038352.db2.gz UESUIGDXDFQRLH-UHFFFAOYSA-N 1 2 350.510 4.355 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000513725872 1095038368 /nfs/dbraw/zinc/03/83/68/1095038368.db2.gz UESUIGDXDFQRLH-UHFFFAOYSA-N 1 2 350.510 4.355 20 30 FIEDLO N#CCC[N@@H+](Cc1cc(Br)ccc1OC(F)F)CC1CC1 ZINC000513736899 1095255822 /nfs/dbraw/zinc/25/58/22/1095255822.db2.gz OIJMEAWVUZAREG-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO N#CCC[N@H+](Cc1cc(Br)ccc1OC(F)F)CC1CC1 ZINC000513736899 1095255833 /nfs/dbraw/zinc/25/58/33/1095255833.db2.gz OIJMEAWVUZAREG-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000330006271 1095346279 /nfs/dbraw/zinc/34/62/79/1095346279.db2.gz DWUHXPLIEFNBTK-SJLPKXTDSA-N 1 2 373.884 4.339 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000330006271 1095346288 /nfs/dbraw/zinc/34/62/88/1095346288.db2.gz DWUHXPLIEFNBTK-SJLPKXTDSA-N 1 2 373.884 4.339 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330009282 1095348526 /nfs/dbraw/zinc/34/85/26/1095348526.db2.gz GBJZGNDHNHNEBW-VUBSUSDNSA-N 1 2 370.472 4.155 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330009282 1095348543 /nfs/dbraw/zinc/34/85/43/1095348543.db2.gz GBJZGNDHNHNEBW-VUBSUSDNSA-N 1 2 370.472 4.155 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330085030 1095373146 /nfs/dbraw/zinc/37/31/46/1095373146.db2.gz CNUJVULEVVJVMR-WWMYMODYSA-N 1 2 360.498 4.056 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330085030 1095373163 /nfs/dbraw/zinc/37/31/63/1095373163.db2.gz CNUJVULEVVJVMR-WWMYMODYSA-N 1 2 360.498 4.056 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330085028 1095374404 /nfs/dbraw/zinc/37/44/04/1095374404.db2.gz CNUJVULEVVJVMR-LLGFUMIMSA-N 1 2 360.498 4.056 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330085028 1095374428 /nfs/dbraw/zinc/37/44/28/1095374428.db2.gz CNUJVULEVVJVMR-LLGFUMIMSA-N 1 2 360.498 4.056 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cncc(Br)c3)CC2)cc1 ZINC000502553637 1095586742 /nfs/dbraw/zinc/58/67/42/1095586742.db2.gz MCIHRICEFMAIKP-UHFFFAOYSA-N 1 2 354.251 4.005 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cncc(Br)c3)CC2)cc1 ZINC000502553637 1095586746 /nfs/dbraw/zinc/58/67/46/1095586746.db2.gz MCIHRICEFMAIKP-UHFFFAOYSA-N 1 2 354.251 4.005 20 30 FIEDLO C[N@H+](Cc1ccc(F)c(Br)c1)Cc1cc(C#N)ccc1F ZINC000532934433 1098627042 /nfs/dbraw/zinc/62/70/42/1098627042.db2.gz RQOXZHYCOVJISF-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1ccc(F)c(Br)c1)Cc1cc(C#N)ccc1F ZINC000532934433 1098627047 /nfs/dbraw/zinc/62/70/47/1098627047.db2.gz RQOXZHYCOVJISF-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000533003574 1098667057 /nfs/dbraw/zinc/66/70/57/1098667057.db2.gz ROWXSFLCSARARC-UHFFFAOYSA-N 1 2 352.482 4.159 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000436111745 1098758388 /nfs/dbraw/zinc/75/83/88/1098758388.db2.gz GBPZIPXTAAHECV-SNVBAGLBSA-N 1 2 374.653 4.069 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000436111745 1098758399 /nfs/dbraw/zinc/75/83/99/1098758399.db2.gz GBPZIPXTAAHECV-SNVBAGLBSA-N 1 2 374.653 4.069 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505851432 1099151137 /nfs/dbraw/zinc/15/11/37/1099151137.db2.gz MWYULTDLZGFQFQ-SCEWNMGZSA-N 1 2 365.864 4.328 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505851432 1099151143 /nfs/dbraw/zinc/15/11/43/1099151143.db2.gz MWYULTDLZGFQFQ-SCEWNMGZSA-N 1 2 365.864 4.328 20 30 FIEDLO C=CCc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1OC ZINC000455476039 1099246740 /nfs/dbraw/zinc/24/67/40/1099246740.db2.gz LCSPSSWCTCUCMN-UHFFFAOYSA-N 1 2 369.465 4.074 20 30 FIEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000615060936 1099566429 /nfs/dbraw/zinc/56/64/29/1099566429.db2.gz FYFNDUGCMNTVFH-OAQYLSRUSA-N 1 2 372.871 4.359 20 30 FIEDLO N#C[C@@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC12CCCC2 ZINC000516622399 1099663307 /nfs/dbraw/zinc/66/33/07/1099663307.db2.gz VNAPLPUDZLKYFK-JOCHJYFZSA-N 1 2 360.461 4.299 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(OC(F)F)c1 ZINC000437394657 1099881639 /nfs/dbraw/zinc/88/16/39/1099881639.db2.gz IVLSXDPHDCKVLZ-UHFFFAOYSA-N 1 2 370.399 4.255 20 30 FIEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC000516991216 1099975398 /nfs/dbraw/zinc/97/53/98/1099975398.db2.gz RLXKOSYRLWPUBC-UHFFFAOYSA-N 1 2 362.399 4.470 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506136308 1100217218 /nfs/dbraw/zinc/21/72/18/1100217218.db2.gz QXQZJLDEVXJFGU-QHCPKHFHSA-N 1 2 369.468 4.048 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000506136308 1100217231 /nfs/dbraw/zinc/21/72/31/1100217231.db2.gz QXQZJLDEVXJFGU-QHCPKHFHSA-N 1 2 369.468 4.048 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125152 1100446195 /nfs/dbraw/zinc/44/61/95/1100446195.db2.gz WRBGWLFXZGVPHH-DHIUTWEWSA-N 1 2 374.463 4.342 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125152 1100446201 /nfs/dbraw/zinc/44/62/01/1100446201.db2.gz WRBGWLFXZGVPHH-DHIUTWEWSA-N 1 2 374.463 4.342 20 30 FIEDLO N#Cc1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1C(F)(F)F ZINC000438308687 1100591740 /nfs/dbraw/zinc/59/17/40/1100591740.db2.gz WEEXJWZNGLFPJK-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1C#N ZINC000537078591 1101443311 /nfs/dbraw/zinc/44/33/11/1101443311.db2.gz LUVAIPXBQMVCBG-KRWDZBQOSA-N 1 2 362.351 4.128 20 30 FIEDLO CCC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC ZINC000426393475 1101465857 /nfs/dbraw/zinc/46/58/57/1101465857.db2.gz FCLUOHUSQXOFEE-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC ZINC000426393475 1101465862 /nfs/dbraw/zinc/46/58/62/1101465862.db2.gz FCLUOHUSQXOFEE-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000477160206 1103178740 /nfs/dbraw/zinc/17/87/40/1103178740.db2.gz CSTAYDHNHUSZMX-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000477160206 1103178751 /nfs/dbraw/zinc/17/87/51/1103178751.db2.gz CSTAYDHNHUSZMX-FQEVSTJZSA-N 1 2 356.853 4.054 20 30 FIEDLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459384389 1103199573 /nfs/dbraw/zinc/19/95/73/1103199573.db2.gz IKQFHQQGXRXGOB-SFHVURJKSA-N 1 2 353.422 4.352 20 30 FIEDLO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729472331 1103238064 /nfs/dbraw/zinc/23/80/64/1103238064.db2.gz KESBKJNDCIXTCI-GOSISDBHSA-N 1 2 360.502 4.102 20 30 FIEDLO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000729472331 1103238074 /nfs/dbraw/zinc/23/80/74/1103238074.db2.gz KESBKJNDCIXTCI-GOSISDBHSA-N 1 2 360.502 4.102 20 30 FIEDLO CCCOc1ccc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000507708045 1103644963 /nfs/dbraw/zinc/64/49/63/1103644963.db2.gz LTIVOHRTVMWPBX-UHFFFAOYSA-N 1 2 351.288 4.364 20 30 FIEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1Cl ZINC000538267271 1104089590 /nfs/dbraw/zinc/08/95/90/1104089590.db2.gz DSSVDODFMBFWJY-UHFFFAOYSA-N 1 2 357.200 4.303 20 30 FIEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)s1 ZINC000018936088 1104194094 /nfs/dbraw/zinc/19/40/94/1104194094.db2.gz TZIMJXTUZQSGOH-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)s1 ZINC000018936088 1104194098 /nfs/dbraw/zinc/19/40/98/1104194098.db2.gz TZIMJXTUZQSGOH-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000328672285 1104530065 /nfs/dbraw/zinc/53/00/65/1104530065.db2.gz IAIKPRWFHPYWLV-LBPRGKRZSA-N 1 2 374.485 4.236 20 30 FIEDLO C[C@@H]1C[C@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1 ZINC000520589867 1105019761 /nfs/dbraw/zinc/01/97/61/1105019761.db2.gz KAMDIFDYOOMINM-ZUOKHONESA-N 1 2 364.836 4.287 20 30 FIEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1Cl ZINC000532077353 1108642927 /nfs/dbraw/zinc/64/29/27/1108642927.db2.gz BNZNCQPHZIWGBO-UHFFFAOYSA-N 1 2 351.903 4.344 20 30 FIEDLO C[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000532345511 1108773775 /nfs/dbraw/zinc/77/37/75/1108773775.db2.gz TYWPOOFTBPVUHJ-CVDCTZTESA-N 1 2 369.468 4.006 20 30 FIEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218791 1109470491 /nfs/dbraw/zinc/47/04/91/1109470491.db2.gz NNWBZKLOOPWTPN-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218791 1109470495 /nfs/dbraw/zinc/47/04/95/1109470495.db2.gz NNWBZKLOOPWTPN-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO N#Cc1cc2c(nc1SCc1c[nH+]cn1Cc1ccccc1)CCCC2 ZINC000525832355 1109536724 /nfs/dbraw/zinc/53/67/24/1109536724.db2.gz ULYCXQHAIZMKEB-UHFFFAOYSA-N 1 2 360.486 4.369 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083243 1109615567 /nfs/dbraw/zinc/61/55/67/1109615567.db2.gz RREVAELFFDBAKF-DHIUTWEWSA-N 1 2 356.473 4.203 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083243 1109615570 /nfs/dbraw/zinc/61/55/70/1109615570.db2.gz RREVAELFFDBAKF-DHIUTWEWSA-N 1 2 356.473 4.203 20 30 FIEDLO O=c1[nH]c2ccccc2n1C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000448149029 1109732676 /nfs/dbraw/zinc/73/26/76/1109732676.db2.gz WIQXNQPRTFFHHX-UHFFFAOYSA-N 1 2 365.864 4.084 20 30 FIEDLO CCN(Cc1cc(Cl)cc(C[N@H+](CC)C[C@H](C)C#N)c1)C[C@H](C)C#N ZINC000450326382 1110284111 /nfs/dbraw/zinc/28/41/11/1110284111.db2.gz HBLBNIUZNAQEJU-IAGOWNOFSA-N 1 2 360.933 4.303 20 30 FIEDLO CCN(Cc1cc(Cl)cc(C[N@@H+](CC)C[C@H](C)C#N)c1)C[C@H](C)C#N ZINC000450326382 1110284114 /nfs/dbraw/zinc/28/41/14/1110284114.db2.gz HBLBNIUZNAQEJU-IAGOWNOFSA-N 1 2 360.933 4.303 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)c(F)c1 ZINC000552020468 1111147659 /nfs/dbraw/zinc/14/76/59/1111147659.db2.gz BMKZDGHQKXYQJZ-UHFFFAOYSA-N 1 2 368.456 4.052 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785407 1111298640 /nfs/dbraw/zinc/29/86/40/1111298640.db2.gz QDSBERXEWOCBQL-KGLIPLIRSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785407 1111298642 /nfs/dbraw/zinc/29/86/42/1111298642.db2.gz QDSBERXEWOCBQL-KGLIPLIRSA-N 1 2 362.408 4.255 20 30 FIEDLO N#CCCSc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000552999149 1111877788 /nfs/dbraw/zinc/87/77/88/1111877788.db2.gz VNJVEWILXGXQOO-UHFFFAOYSA-N 1 2 362.458 4.189 20 30 FIEDLO C=CCN(Cc1ccccc1F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553039771 1111888874 /nfs/dbraw/zinc/88/88/74/1111888874.db2.gz ZFPGYWBLFOCGRF-LJQANCHMSA-N 1 2 363.436 4.286 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(F)cc1F ZINC000554228617 1112258283 /nfs/dbraw/zinc/25/82/83/1112258283.db2.gz VXXDSYSNZRXAQK-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311027 1112297090 /nfs/dbraw/zinc/29/70/90/1112297090.db2.gz QRKSRFMMGURYNF-VQIMIIECSA-N 1 2 367.518 4.466 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311027 1112297093 /nfs/dbraw/zinc/29/70/93/1112297093.db2.gz QRKSRFMMGURYNF-VQIMIIECSA-N 1 2 367.518 4.466 20 30 FIEDLO COc1cccc(NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000480544200 1112475045 /nfs/dbraw/zinc/47/50/45/1112475045.db2.gz YTSZOHCURTVJJB-UHFFFAOYSA-N 1 2 355.869 4.297 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000554933162 1112570150 /nfs/dbraw/zinc/57/01/50/1112570150.db2.gz PZTGCLGKQGRLIS-KDOFPFPSSA-N 1 2 365.868 4.352 20 30 FIEDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1cc(C#N)ccc1F ZINC000482838567 1113376326 /nfs/dbraw/zinc/37/63/26/1113376326.db2.gz SIYBVVUKYKYZIE-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1cc(C#N)ccc1F ZINC000482838567 1113376329 /nfs/dbraw/zinc/37/63/29/1113376329.db2.gz SIYBVVUKYKYZIE-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210161 1113466243 /nfs/dbraw/zinc/46/62/43/1113466243.db2.gz LJULLARGFSUMLG-LJQANCHMSA-N 1 2 370.456 4.104 20 30 FIEDLO CC[N@@H+](Cc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210161 1113466245 /nfs/dbraw/zinc/46/62/45/1113466245.db2.gz LJULLARGFSUMLG-LJQANCHMSA-N 1 2 370.456 4.104 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Br)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000483296485 1113482821 /nfs/dbraw/zinc/48/28/21/1113482821.db2.gz NVPWEJPTVQSPBN-UHFFFAOYSA-N 1 2 351.200 4.139 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Br)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000483296485 1113482823 /nfs/dbraw/zinc/48/28/23/1113482823.db2.gz NVPWEJPTVQSPBN-UHFFFAOYSA-N 1 2 351.200 4.139 20 30 FIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000174840018 1113820084 /nfs/dbraw/zinc/82/00/84/1113820084.db2.gz BFSOIIBWTRVXJW-MRXNPFEDSA-N 1 2 351.288 4.152 20 30 FIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000174840018 1113820088 /nfs/dbraw/zinc/82/00/88/1113820088.db2.gz BFSOIIBWTRVXJW-MRXNPFEDSA-N 1 2 351.288 4.152 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000489401305 1114102450 /nfs/dbraw/zinc/10/24/50/1114102450.db2.gz JBJGHNPXMFRZOX-GOSISDBHSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000489401305 1114102454 /nfs/dbraw/zinc/10/24/54/1114102454.db2.gz JBJGHNPXMFRZOX-GOSISDBHSA-N 1 2 355.507 4.173 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000489450128 1114114000 /nfs/dbraw/zinc/11/40/00/1114114000.db2.gz POOOMXAVSGNSFC-DOTOQJQBSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000489450128 1114114003 /nfs/dbraw/zinc/11/40/03/1114114003.db2.gz POOOMXAVSGNSFC-DOTOQJQBSA-N 1 2 369.490 4.059 20 30 FIEDLO C[C@H](c1nnc(SCCCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000129499650 1114303397 /nfs/dbraw/zinc/30/33/97/1114303397.db2.gz ISXHKRZAAYYERF-CYBMUJFWSA-N 1 2 363.918 4.329 20 30 FIEDLO N#CCC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000572985250 1114940846 /nfs/dbraw/zinc/94/08/46/1114940846.db2.gz FSWBHIXCISUKJX-UHFFFAOYSA-N 1 2 363.465 4.044 20 30 FIEDLO CC(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000573490063 1115131226 /nfs/dbraw/zinc/13/12/26/1115131226.db2.gz ZFLPQJRFCCHRJU-UHFFFAOYSA-N 1 2 359.470 4.321 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3Cl)CCC2)c1C#N ZINC000593038272 1115281465 /nfs/dbraw/zinc/28/14/65/1115281465.db2.gz BHQZHMFBCCIEDE-UHFFFAOYSA-N 1 2 354.837 4.167 20 30 FIEDLO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000593076875 1115299777 /nfs/dbraw/zinc/29/97/77/1115299777.db2.gz MENGIVSQFXSXSQ-FZKQIMNGSA-N 1 2 370.884 4.173 20 30 FIEDLO C[N@@H+]1CC[C@H](N[C@@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595477422 1115538430 /nfs/dbraw/zinc/53/84/30/1115538430.db2.gz SPFZMSYHEQGLFC-GBESFXJTSA-N 1 2 361.823 4.218 20 30 FIEDLO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595477422 1115538432 /nfs/dbraw/zinc/53/84/32/1115538432.db2.gz SPFZMSYHEQGLFC-GBESFXJTSA-N 1 2 361.823 4.218 20 30 FIEDLO COc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1C#N ZINC000595747743 1115560947 /nfs/dbraw/zinc/56/09/47/1115560947.db2.gz FSWXYBKBVFFEKD-INIZCTEOSA-N 1 2 365.260 4.039 20 30 FIEDLO COc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1C#N ZINC000595747743 1115560949 /nfs/dbraw/zinc/56/09/49/1115560949.db2.gz FSWXYBKBVFFEKD-INIZCTEOSA-N 1 2 365.260 4.039 20 30 FIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596983797 1115631939 /nfs/dbraw/zinc/63/19/39/1115631939.db2.gz JYOASEVWXMFQKO-NRFANRHFSA-N 1 2 372.472 4.241 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599646788 1115833668 /nfs/dbraw/zinc/83/36/68/1115833668.db2.gz YZWBYLBLFDJASP-UHFFFAOYSA-N 1 2 370.884 4.317 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc(F)c(F)c4)no3)CCC2)cc1 ZINC000594031451 1115965510 /nfs/dbraw/zinc/96/55/10/1115965510.db2.gz GMWUXJDGLWDMJD-UHFFFAOYSA-N 1 2 366.371 4.055 20 30 FIEDLO COc1cc(C#N)ccc1Oc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000608885531 1116135468 /nfs/dbraw/zinc/13/54/68/1116135468.db2.gz XCWLYCLMEJODDC-UHFFFAOYSA-N 1 2 357.373 4.374 20 30 FIEDLO C=CCC1(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000457775697 1116306799 /nfs/dbraw/zinc/30/67/99/1116306799.db2.gz OGGSZRACVUCRQH-UHFFFAOYSA-N 1 2 352.482 4.010 20 30 FIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000539759826 1116376648 /nfs/dbraw/zinc/37/66/48/1116376648.db2.gz ZVNNJYIIXILPJM-UHFFFAOYSA-N 1 2 354.369 4.251 20 30 FIEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1C(F)(F)F ZINC000463488706 1118180886 /nfs/dbraw/zinc/18/08/86/1118180886.db2.gz GWSFYJGXKLZXAY-UHFFFAOYSA-N 1 2 362.399 4.470 20 30 FIEDLO CC(C)(CCC#N)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463684505 1118281279 /nfs/dbraw/zinc/28/12/79/1118281279.db2.gz PLHLXDXLYIBBKC-UHFFFAOYSA-N 1 2 365.481 4.338 20 30 FIEDLO COc1cc(Br)ccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000540998385 1118346432 /nfs/dbraw/zinc/34/64/32/1118346432.db2.gz WSMGPIJMZDILEK-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO COc1cc(Br)ccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000540998385 1118346433 /nfs/dbraw/zinc/34/64/33/1118346433.db2.gz WSMGPIJMZDILEK-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO CCc1ccc([C@@H](COC)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000541626899 1118588166 /nfs/dbraw/zinc/58/81/66/1118588166.db2.gz HZRQLNSFAPCYCD-QGZVFWFLSA-N 1 2 351.368 4.190 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)c(C#N)c3)n2)cc1F ZINC000541691774 1118608726 /nfs/dbraw/zinc/60/87/26/1118608726.db2.gz SPZVLMDQHGSCFJ-LBPRGKRZSA-N 1 2 354.360 4.046 20 30 FIEDLO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H](C)C#N ZINC000541763674 1118634701 /nfs/dbraw/zinc/63/47/01/1118634701.db2.gz UEASUKYVCMDCCR-HNNXBMFYSA-N 1 2 364.424 4.361 20 30 FIEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723826 1118671635 /nfs/dbraw/zinc/67/16/35/1118671635.db2.gz CYZIKSSTMUHONJ-ORAYPTAESA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723826 1118671638 /nfs/dbraw/zinc/67/16/38/1118671638.db2.gz CYZIKSSTMUHONJ-ORAYPTAESA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](c2ccco2)C1 ZINC000464847743 1118720925 /nfs/dbraw/zinc/72/09/25/1118720925.db2.gz GPUUXSDMDHFJOW-DYVFJYSZSA-N 1 2 357.841 4.216 20 30 FIEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](c2ccco2)C1 ZINC000464847743 1118720926 /nfs/dbraw/zinc/72/09/26/1118720926.db2.gz GPUUXSDMDHFJOW-DYVFJYSZSA-N 1 2 357.841 4.216 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000491383479 1118943804 /nfs/dbraw/zinc/94/38/04/1118943804.db2.gz RNSADOUGMWRTTG-UHFFFAOYSA-N 1 2 366.461 4.253 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000491383479 1118943806 /nfs/dbraw/zinc/94/38/06/1118943806.db2.gz RNSADOUGMWRTTG-UHFFFAOYSA-N 1 2 366.461 4.253 20 30 FIEDLO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccccn1 ZINC000152585174 1119455700 /nfs/dbraw/zinc/45/57/00/1119455700.db2.gz RPONAOFTIVQXRE-UHFFFAOYSA-N 1 2 355.511 4.027 20 30 FIEDLO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1ccccn1 ZINC000152585174 1119455702 /nfs/dbraw/zinc/45/57/02/1119455702.db2.gz RPONAOFTIVQXRE-UHFFFAOYSA-N 1 2 355.511 4.027 20 30 FIEDLO C=C(C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000185472898 1119665555 /nfs/dbraw/zinc/66/55/55/1119665555.db2.gz RZJWLSHLSFEZAA-IBGZPJMESA-N 1 2 374.435 4.169 20 30 FIEDLO CC(C)[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192100240 1120017435 /nfs/dbraw/zinc/01/74/35/1120017435.db2.gz WMDSIEHAYFYFPK-UHFFFAOYSA-N 1 2 374.406 4.406 20 30 FIEDLO CC(C)[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192100240 1120017443 /nfs/dbraw/zinc/01/74/43/1120017443.db2.gz WMDSIEHAYFYFPK-UHFFFAOYSA-N 1 2 374.406 4.406 20 30 FIEDLO C=C(Br)C[N@@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000762060786 1120684273 /nfs/dbraw/zinc/68/42/73/1120684273.db2.gz MSMAHBDFNFJOKO-UHFFFAOYSA-N 1 2 372.303 4.222 20 30 FIEDLO C=C(Br)C[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000762060786 1120684286 /nfs/dbraw/zinc/68/42/86/1120684286.db2.gz MSMAHBDFNFJOKO-UHFFFAOYSA-N 1 2 372.303 4.222 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000027220247 1120734024 /nfs/dbraw/zinc/73/40/24/1120734024.db2.gz CWOXIDDWNNUVPI-OAQYLSRUSA-N 1 2 354.519 4.312 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000027220247 1120734029 /nfs/dbraw/zinc/73/40/29/1120734029.db2.gz CWOXIDDWNNUVPI-OAQYLSRUSA-N 1 2 354.519 4.312 20 30 FIEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000915112783 1120819535 /nfs/dbraw/zinc/81/95/35/1120819535.db2.gz FZDVIYSCMLDSQU-UZQMFHLOSA-N 1 2 373.840 4.210 20 30 FIEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000915112782 1120820180 /nfs/dbraw/zinc/82/01/80/1120820180.db2.gz FZDVIYSCMLDSQU-UMUMUWHJSA-N 1 2 373.840 4.210 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000194965948 1123057316 /nfs/dbraw/zinc/05/73/16/1123057316.db2.gz OXOMBYMOXTVTLA-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000194965948 1123057323 /nfs/dbraw/zinc/05/73/23/1123057323.db2.gz OXOMBYMOXTVTLA-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccs1 ZINC000499052783 1123174993 /nfs/dbraw/zinc/17/49/93/1123174993.db2.gz KWCSJXGOYPPKFS-UHFFFAOYSA-N 1 2 367.518 4.300 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccs1 ZINC000499052783 1123174994 /nfs/dbraw/zinc/17/49/94/1123174994.db2.gz KWCSJXGOYPPKFS-UHFFFAOYSA-N 1 2 367.518 4.300 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484003 1123462788 /nfs/dbraw/zinc/46/27/88/1123462788.db2.gz AMNZCQZVNIQUDI-QGZVFWFLSA-N 1 2 360.502 4.484 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484003 1123462791 /nfs/dbraw/zinc/46/27/91/1123462791.db2.gz AMNZCQZVNIQUDI-QGZVFWFLSA-N 1 2 360.502 4.484 20 30 FIEDLO CC1CC[NH+]([C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)c2cccs2)CC1 ZINC000920944254 1123540039 /nfs/dbraw/zinc/54/00/39/1123540039.db2.gz SKVYOLDUDFIFQB-SYERDGIWSA-N 1 2 373.478 4.254 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000135181101 1123724448 /nfs/dbraw/zinc/72/44/48/1123724448.db2.gz DDGAHHXTRLVYLD-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000135181101 1123724452 /nfs/dbraw/zinc/72/44/52/1123724452.db2.gz DDGAHHXTRLVYLD-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000135256359 1123729835 /nfs/dbraw/zinc/72/98/35/1123729835.db2.gz GNIHWHIVHKTKQT-UHFFFAOYSA-N 1 2 358.489 4.365 20 30 FIEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000135256359 1123729839 /nfs/dbraw/zinc/72/98/39/1123729839.db2.gz GNIHWHIVHKTKQT-UHFFFAOYSA-N 1 2 358.489 4.365 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000237603054 1123994700 /nfs/dbraw/zinc/99/47/00/1123994700.db2.gz UDSDKPQCWIJDJC-CABCVRRESA-N 1 2 354.454 4.259 20 30 FIEDLO N#CC1(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2)CC1 ZINC000180069516 1124219003 /nfs/dbraw/zinc/21/90/03/1124219003.db2.gz YDUNXTWQMSMQBU-UHFFFAOYSA-N 1 2 362.820 4.333 20 30 FIEDLO N#Cc1ccc(Cl)cc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302174215 1124291071 /nfs/dbraw/zinc/29/10/71/1124291071.db2.gz QKKHFCFOQQWYRB-UHFFFAOYSA-N 1 2 362.864 4.214 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000616749085 1124367167 /nfs/dbraw/zinc/36/71/67/1124367167.db2.gz MPZGJTBNMJRUBD-RYUDHWBXSA-N 1 2 354.269 4.260 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2c(C#N)cccc2C#N)c1 ZINC000302910856 1124367959 /nfs/dbraw/zinc/36/79/59/1124367959.db2.gz ZHSMPZXXMBVEBF-UHFFFAOYSA-N 1 2 359.458 4.262 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2c(C#N)cccc2C#N)c1 ZINC000302910856 1124367962 /nfs/dbraw/zinc/36/79/62/1124367962.db2.gz ZHSMPZXXMBVEBF-UHFFFAOYSA-N 1 2 359.458 4.262 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000303196040 1124408520 /nfs/dbraw/zinc/40/85/20/1124408520.db2.gz NEHKBIXKCWSUBL-HNNXBMFYSA-N 1 2 357.860 4.230 20 30 FIEDLO CCC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000074981686 1124837999 /nfs/dbraw/zinc/83/79/99/1124837999.db2.gz HDBIEZRXQIKLBU-INIZCTEOSA-N 1 2 356.470 4.087 20 30 FIEDLO CCC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000074981686 1124838002 /nfs/dbraw/zinc/83/80/02/1124838002.db2.gz HDBIEZRXQIKLBU-INIZCTEOSA-N 1 2 356.470 4.087 20 30 FIEDLO CCCCCCCOc1cccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763496241 1124994841 /nfs/dbraw/zinc/99/48/41/1124994841.db2.gz ZKEUZARYCSTERE-UUOWRZLLSA-N 1 2 351.556 4.379 20 30 FIEDLO CCCCCCCOc1cccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000763496241 1124994847 /nfs/dbraw/zinc/99/48/47/1124994847.db2.gz ZKEUZARYCSTERE-UUOWRZLLSA-N 1 2 351.556 4.379 20 30 FIEDLO C=C(C)[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC000251677881 1125016383 /nfs/dbraw/zinc/01/63/83/1125016383.db2.gz MWWPIBSPCYCBCO-JVPBZIDWSA-N 1 2 374.435 4.071 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000076912134 1125061997 /nfs/dbraw/zinc/06/19/97/1125061997.db2.gz JCURESUCIHPMSJ-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000076912134 1125062005 /nfs/dbraw/zinc/06/20/05/1125062005.db2.gz JCURESUCIHPMSJ-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000542986933 1125175733 /nfs/dbraw/zinc/17/57/33/1125175733.db2.gz WYHPFKLCWSKWDL-OAHLLOKOSA-N 1 2 367.802 4.244 20 30 FIEDLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000542986933 1125175736 /nfs/dbraw/zinc/17/57/36/1125175736.db2.gz WYHPFKLCWSKWDL-OAHLLOKOSA-N 1 2 367.802 4.244 20 30 FIEDLO N#CCC[N@@H+](CCCc1ccccc1Br)Cc1ccccn1 ZINC000181958735 1125191241 /nfs/dbraw/zinc/19/12/41/1125191241.db2.gz NMGHZOURNMDPPJ-UHFFFAOYSA-N 1 2 358.283 4.193 20 30 FIEDLO N#CCC[N@H+](CCCc1ccccc1Br)Cc1ccccn1 ZINC000181958735 1125191246 /nfs/dbraw/zinc/19/12/46/1125191246.db2.gz NMGHZOURNMDPPJ-UHFFFAOYSA-N 1 2 358.283 4.193 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000619075631 1125451592 /nfs/dbraw/zinc/45/15/92/1125451592.db2.gz NDPWHZNLHVCAQR-UHFFFAOYSA-N 1 2 350.853 4.015 20 30 FIEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000078619351 132191256 /nfs/dbraw/zinc/19/12/56/132191256.db2.gz XFZYBZGDVAPLLR-CYBMUJFWSA-N 1 2 361.823 4.373 20 30 FIEDLO CC(C)C[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)n1cc[nH+]c1 ZINC000602094638 567932964 /nfs/dbraw/zinc/93/29/64/567932964.db2.gz CPAGCMOUOLXRDY-WBVHZDCISA-N 1 2 356.495 4.361 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)cc1 ZINC000067399476 568074982 /nfs/dbraw/zinc/07/49/82/568074982.db2.gz RPCAFRGRHROZPH-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266614 568230617 /nfs/dbraw/zinc/23/06/17/568230617.db2.gz RKQJDSWOZVZNHI-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266614 568230618 /nfs/dbraw/zinc/23/06/18/568230618.db2.gz RKQJDSWOZVZNHI-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000570606498 568490766 /nfs/dbraw/zinc/49/07/66/568490766.db2.gz SMRFEPNOSKNFSY-MRXNPFEDSA-N 1 2 355.511 4.165 20 30 FIEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000570606498 568490767 /nfs/dbraw/zinc/49/07/67/568490767.db2.gz SMRFEPNOSKNFSY-MRXNPFEDSA-N 1 2 355.511 4.165 20 30 FIEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000619272969 1125546801 /nfs/dbraw/zinc/54/68/01/1125546801.db2.gz BTUGBJAGKIMQOI-IBGZPJMESA-N 1 2 359.395 4.146 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000132278271 1125550338 /nfs/dbraw/zinc/55/03/38/1125550338.db2.gz IOYAVMWWKOOBND-ZDUSSCGKSA-N 1 2 369.303 4.371 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000132278271 1125550342 /nfs/dbraw/zinc/55/03/42/1125550342.db2.gz IOYAVMWWKOOBND-ZDUSSCGKSA-N 1 2 369.303 4.371 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c(F)cc1Cl ZINC001209668181 1080790768 /nfs/dbraw/zinc/79/07/68/1080790768.db2.gz VNUSCYFYTFTLHI-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c(F)cc1Cl ZINC001209668181 1080790775 /nfs/dbraw/zinc/79/07/75/1080790775.db2.gz VNUSCYFYTFTLHI-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204462496 1080833409 /nfs/dbraw/zinc/83/34/09/1080833409.db2.gz XDEJNXOWSVAHAH-ZDUSSCGKSA-N 1 2 359.285 4.124 20 30 FIEDLO O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001204462496 1080833417 /nfs/dbraw/zinc/83/34/17/1080833417.db2.gz XDEJNXOWSVAHAH-ZDUSSCGKSA-N 1 2 359.285 4.124 20 30 FIEDLO C=CCC1(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CCCCC1 ZINC000655621087 1081068789 /nfs/dbraw/zinc/06/87/89/1081068789.db2.gz JNJYUGLRTBVFAG-LJQANCHMSA-N 1 2 366.509 4.282 20 30 FIEDLO COCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000579965366 1081279626 /nfs/dbraw/zinc/27/96/26/1081279626.db2.gz ZVBHULFJTVFWJZ-CQSZACIVSA-N 1 2 356.278 4.189 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001167457634 1082518615 /nfs/dbraw/zinc/51/86/15/1082518615.db2.gz GVMKVOONROGZEW-OAHLLOKOSA-N 1 2 374.937 4.363 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001167457634 1082518618 /nfs/dbraw/zinc/51/86/18/1082518618.db2.gz GVMKVOONROGZEW-OAHLLOKOSA-N 1 2 374.937 4.363 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510450447 1082807616 /nfs/dbraw/zinc/80/76/16/1082807616.db2.gz CQEDQLDGQPYSSQ-UHFFFAOYSA-N 1 2 374.463 4.371 20 30 FIEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510450447 1082807628 /nfs/dbraw/zinc/80/76/28/1082807628.db2.gz CQEDQLDGQPYSSQ-UHFFFAOYSA-N 1 2 374.463 4.371 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000086235058 1083089487 /nfs/dbraw/zinc/08/94/87/1083089487.db2.gz WOEMYNKLUSTKIN-GOSISDBHSA-N 1 2 365.477 4.369 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1C ZINC000086235058 1083089500 /nfs/dbraw/zinc/08/95/00/1083089500.db2.gz WOEMYNKLUSTKIN-GOSISDBHSA-N 1 2 365.477 4.369 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000430721272 1083132231 /nfs/dbraw/zinc/13/22/31/1083132231.db2.gz BTZGRVLSBGFUDE-RTWAWAEBSA-N 1 2 372.472 4.153 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000430721272 1083132234 /nfs/dbraw/zinc/13/22/34/1083132234.db2.gz BTZGRVLSBGFUDE-RTWAWAEBSA-N 1 2 372.472 4.153 20 30 FIEDLO O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328913326 1083133206 /nfs/dbraw/zinc/13/32/06/1083133206.db2.gz HZRISMJEXPNPIF-INIZCTEOSA-N 1 2 364.474 4.346 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000510813115 1083324868 /nfs/dbraw/zinc/32/48/68/1083324868.db2.gz QJLRVSBKHYPBHV-FQEVSTJZSA-N 1 2 354.519 4.490 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000510813115 1083324870 /nfs/dbraw/zinc/32/48/70/1083324870.db2.gz QJLRVSBKHYPBHV-FQEVSTJZSA-N 1 2 354.519 4.490 20 30 FIEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865357 1083386739 /nfs/dbraw/zinc/38/67/39/1083386739.db2.gz DYMAJWRPWBFLBP-UHFFFAOYSA-N 1 2 364.474 4.164 20 30 FIEDLO COCC[N@H+](Cc1nc(-c2ccsc2)oc1C)Cc1ccc(C#N)cc1 ZINC000102655766 1083459959 /nfs/dbraw/zinc/45/99/59/1083459959.db2.gz FBWWPCRJSDOEPZ-UHFFFAOYSA-N 1 2 367.474 4.232 20 30 FIEDLO COCC[N@@H+](Cc1nc(-c2ccsc2)oc1C)Cc1ccc(C#N)cc1 ZINC000102655766 1083459963 /nfs/dbraw/zinc/45/99/63/1083459963.db2.gz FBWWPCRJSDOEPZ-UHFFFAOYSA-N 1 2 367.474 4.232 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405951 1083779880 /nfs/dbraw/zinc/77/98/80/1083779880.db2.gz FOFBYBIHBPLIPX-JOCHJYFZSA-N 1 2 366.509 4.439 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405951 1083779892 /nfs/dbraw/zinc/77/98/92/1083779892.db2.gz FOFBYBIHBPLIPX-JOCHJYFZSA-N 1 2 366.509 4.439 20 30 FIEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610943822 1083860290 /nfs/dbraw/zinc/86/02/90/1083860290.db2.gz KLGVDKBZTAUSNJ-CQSZACIVSA-N 1 2 371.506 4.331 20 30 FIEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610943822 1083860305 /nfs/dbraw/zinc/86/03/05/1083860305.db2.gz KLGVDKBZTAUSNJ-CQSZACIVSA-N 1 2 371.506 4.331 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C2CC2)cc1 ZINC000178520340 1084395497 /nfs/dbraw/zinc/39/54/97/1084395497.db2.gz CZYJHIZQAJIRHL-UHFFFAOYSA-N 1 2 366.371 4.051 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C2CC2)cc1 ZINC000178520340 1084395509 /nfs/dbraw/zinc/39/55/09/1084395509.db2.gz CZYJHIZQAJIRHL-UHFFFAOYSA-N 1 2 366.371 4.051 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1C(F)(F)F ZINC000539359464 1084527604 /nfs/dbraw/zinc/52/76/04/1084527604.db2.gz LHRSGKXFMFDZHI-GFCCVEGCSA-N 1 2 372.350 4.478 20 30 FIEDLO C[C@@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000479549845 1085210348 /nfs/dbraw/zinc/21/03/48/1085210348.db2.gz ALRVBZIZCWNQNA-QLJPJBMISA-N 1 2 353.224 4.388 20 30 FIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000661413274 1085558738 /nfs/dbraw/zinc/55/87/38/1085558738.db2.gz CGSMYMDGCUZIIV-YZGWKJHDSA-N 1 2 366.509 4.138 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc2ccccc2o1 ZINC000472287849 1086709211 /nfs/dbraw/zinc/70/92/11/1086709211.db2.gz PDTYLDVPDWTVNJ-UHFFFAOYSA-N 1 2 353.809 4.028 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc2ccccc2o1 ZINC000472287849 1086709219 /nfs/dbraw/zinc/70/92/19/1086709219.db2.gz PDTYLDVPDWTVNJ-UHFFFAOYSA-N 1 2 353.809 4.028 20 30 FIEDLO C=C[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278941799 1086714414 /nfs/dbraw/zinc/71/44/14/1086714414.db2.gz LCKXHRHFGMMJBS-GOSISDBHSA-N 1 2 363.505 4.285 20 30 FIEDLO O=C(Nc1cccc(CSC2CCOCC2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329480909 1086985494 /nfs/dbraw/zinc/98/54/94/1086985494.db2.gz RADVFDHLYPOXGN-INIZCTEOSA-N 1 2 371.506 4.146 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803400 1087168309 /nfs/dbraw/zinc/16/83/09/1087168309.db2.gz XVGYHHWCUWYXHI-MRXNPFEDSA-N 1 2 357.504 4.139 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803400 1087168313 /nfs/dbraw/zinc/16/83/13/1087168313.db2.gz XVGYHHWCUWYXHI-MRXNPFEDSA-N 1 2 357.504 4.139 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000472337277 1087601582 /nfs/dbraw/zinc/60/15/82/1087601582.db2.gz OWVIIPWXWVNOJS-LJQANCHMSA-N 1 2 369.534 4.469 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472337277 1087601583 /nfs/dbraw/zinc/60/15/83/1087601583.db2.gz OWVIIPWXWVNOJS-LJQANCHMSA-N 1 2 369.534 4.469 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000505034965 1088073367 /nfs/dbraw/zinc/07/33/67/1088073367.db2.gz IUDCMYVYMFZTIY-UHFFFAOYSA-N 1 2 360.461 4.372 20 30 FIEDLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000363651069 1088162506 /nfs/dbraw/zinc/16/25/06/1088162506.db2.gz JXMFEJNLHKQDKL-CABCVRRESA-N 1 2 362.433 4.166 20 30 FIEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Br)sc1C ZINC000181181383 1088262840 /nfs/dbraw/zinc/26/28/40/1088262840.db2.gz HHWFPIQOEHFUNA-UHFFFAOYSA-N 1 2 364.312 4.419 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513996211 1088601552 /nfs/dbraw/zinc/60/15/52/1088601552.db2.gz GABWCQIQWLIRTB-OXQOHEQNSA-N 1 2 354.881 4.173 20 30 FIEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC001203416388 1091327684 /nfs/dbraw/zinc/32/76/84/1091327684.db2.gz IQMYAHCUKCJCOG-UHFFFAOYSA-N 1 2 369.292 4.214 20 30 FIEDLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872645 1091767524 /nfs/dbraw/zinc/76/75/24/1091767524.db2.gz YHHYQEROJFNVSB-OAHLLOKOSA-N 1 2 360.413 4.456 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000432597373 1091976126 /nfs/dbraw/zinc/97/61/26/1091976126.db2.gz LETHILVBCJNMLN-LJQANCHMSA-N 1 2 354.498 4.143 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000432675356 1092064355 /nfs/dbraw/zinc/06/43/55/1092064355.db2.gz AMQOPNUWKLJCJS-IAGOWNOFSA-N 1 2 359.514 4.020 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432675355 1092064597 /nfs/dbraw/zinc/06/45/97/1092064597.db2.gz AMQOPNUWKLJCJS-CALCHBBNSA-N 1 2 359.514 4.020 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432675355 1092064609 /nfs/dbraw/zinc/06/46/09/1092064609.db2.gz AMQOPNUWKLJCJS-CALCHBBNSA-N 1 2 359.514 4.020 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000521090934 1092490312 /nfs/dbraw/zinc/49/03/12/1092490312.db2.gz AIULXNYCANHRED-HSZRJFAPSA-N 1 2 361.489 4.060 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000521090934 1092490321 /nfs/dbraw/zinc/49/03/21/1092490321.db2.gz AIULXNYCANHRED-HSZRJFAPSA-N 1 2 361.489 4.060 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000512516438 1092616515 /nfs/dbraw/zinc/61/65/15/1092616515.db2.gz GLLCAGRCCSTQGA-UYAOXDASSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000512516438 1092616522 /nfs/dbraw/zinc/61/65/22/1092616522.db2.gz GLLCAGRCCSTQGA-UYAOXDASSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000512547236 1092901724 /nfs/dbraw/zinc/90/17/24/1092901724.db2.gz KWEZIRVUARODEX-SFHVURJKSA-N 1 2 368.525 4.432 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000512547236 1092901725 /nfs/dbraw/zinc/90/17/25/1092901725.db2.gz KWEZIRVUARODEX-SFHVURJKSA-N 1 2 368.525 4.432 20 30 FIEDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168756 1093040019 /nfs/dbraw/zinc/04/00/19/1093040019.db2.gz TUOGRPMSJXKCCR-UHFFFAOYSA-N 1 2 358.489 4.365 20 30 FIEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168756 1093040023 /nfs/dbraw/zinc/04/00/23/1093040023.db2.gz TUOGRPMSJXKCCR-UHFFFAOYSA-N 1 2 358.489 4.365 20 30 FIEDLO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(C#N)cc1F ZINC000512650213 1093074286 /nfs/dbraw/zinc/07/42/86/1093074286.db2.gz XWEWLWRGANOBLR-HNNXBMFYSA-N 1 2 360.436 4.223 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000411483197 1093336790 /nfs/dbraw/zinc/33/67/90/1093336790.db2.gz DTUXGUVLUZRVHU-OAHLLOKOSA-N 1 2 355.413 4.184 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000411483197 1093336794 /nfs/dbraw/zinc/33/67/94/1093336794.db2.gz DTUXGUVLUZRVHU-OAHLLOKOSA-N 1 2 355.413 4.184 20 30 FIEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000509807719 1093419762 /nfs/dbraw/zinc/41/97/62/1093419762.db2.gz POSCGOAUAOOWRE-GXFFZTMASA-N 1 2 354.294 4.150 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000509807719 1093419767 /nfs/dbraw/zinc/41/97/67/1093419767.db2.gz POSCGOAUAOOWRE-GXFFZTMASA-N 1 2 354.294 4.150 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433248304 1093491744 /nfs/dbraw/zinc/49/17/44/1093491744.db2.gz RRYVOFMLPXRDHL-NSHDSACASA-N 1 2 363.820 4.020 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433248304 1093491752 /nfs/dbraw/zinc/49/17/52/1093491752.db2.gz RRYVOFMLPXRDHL-NSHDSACASA-N 1 2 363.820 4.020 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001141814898 1093583904 /nfs/dbraw/zinc/58/39/04/1093583904.db2.gz UTPPKQXPYXUQNH-HNNXBMFYSA-N 1 2 359.242 4.449 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001141814898 1093583913 /nfs/dbraw/zinc/58/39/13/1093583913.db2.gz UTPPKQXPYXUQNH-HNNXBMFYSA-N 1 2 359.242 4.449 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000727594951 1093608533 /nfs/dbraw/zinc/60/85/33/1093608533.db2.gz SCSXLIVHXMJLAC-SFHVURJKSA-N 1 2 356.470 4.074 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265470 1093631129 /nfs/dbraw/zinc/63/11/29/1093631129.db2.gz IJXBDVAHYTWZQX-VXKWHMMOSA-N 1 2 360.436 4.283 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265470 1093631133 /nfs/dbraw/zinc/63/11/33/1093631133.db2.gz IJXBDVAHYTWZQX-VXKWHMMOSA-N 1 2 360.436 4.283 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000474277446 1093646814 /nfs/dbraw/zinc/64/68/14/1093646814.db2.gz SRTUHRXKZLTYQG-FYYLOGMGSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000474277446 1093646818 /nfs/dbraw/zinc/64/68/18/1093646818.db2.gz SRTUHRXKZLTYQG-FYYLOGMGSA-N 1 2 356.473 4.453 20 30 FIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000025438841 1093777919 /nfs/dbraw/zinc/77/79/19/1093777919.db2.gz PMQQVVIQRDLVIT-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000025438841 1093777925 /nfs/dbraw/zinc/77/79/25/1093777925.db2.gz PMQQVVIQRDLVIT-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000191886595 1094414813 /nfs/dbraw/zinc/41/48/13/1094414813.db2.gz RNNVXNWXVKRRTH-UHFFFAOYSA-N 1 2 370.497 4.345 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000501217025 1094563073 /nfs/dbraw/zinc/56/30/73/1094563073.db2.gz JRIMXXTYDGIUBY-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501217025 1094563083 /nfs/dbraw/zinc/56/30/83/1094563083.db2.gz JRIMXXTYDGIUBY-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247433 1094795843 /nfs/dbraw/zinc/79/58/43/1094795843.db2.gz WBYGBEJCENKGPP-XJKSGUPXSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000329247433 1094795849 /nfs/dbraw/zinc/79/58/49/1094795849.db2.gz WBYGBEJCENKGPP-XJKSGUPXSA-N 1 2 356.495 4.088 20 30 FIEDLO O=C(NC(C1CCC1)C1CCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329402671 1094884342 /nfs/dbraw/zinc/88/43/42/1094884342.db2.gz ZLIVEFXAHOCQFI-UHFFFAOYSA-N 1 2 370.541 4.282 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nc3c(s2)CCCC3(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000329562229 1094974888 /nfs/dbraw/zinc/97/48/88/1094974888.db2.gz JMIWKJNEUOSOPH-KGLIPLIRSA-N 1 2 373.526 4.082 20 30 FIEDLO CC1=C(C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000329637130 1095035839 /nfs/dbraw/zinc/03/58/39/1095035839.db2.gz AEFOBQFQPGUSNH-UHFFFAOYSA-N 1 2 350.466 4.474 20 30 FIEDLO C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329790973 1095266878 /nfs/dbraw/zinc/26/68/78/1095266878.db2.gz DDVQMESXNFSVSP-HOTGVXAUSA-N 1 2 352.482 4.410 20 30 FIEDLO Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)s2)c(C)c1 ZINC000329932809 1095318968 /nfs/dbraw/zinc/31/89/68/1095318968.db2.gz BCTPJKZAEALLTD-CQSZACIVSA-N 1 2 352.463 4.474 20 30 FIEDLO C[C@]1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCS1 ZINC000330223822 1095425020 /nfs/dbraw/zinc/42/50/20/1095425020.db2.gz ALVIZTQEUOSOQO-HXUWFJFHSA-N 1 2 370.522 4.498 20 30 FIEDLO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330250515 1095435198 /nfs/dbraw/zinc/43/51/98/1095435198.db2.gz GXPRQIITHZYOMF-ZDUSSCGKSA-N 1 2 364.902 4.296 20 30 FIEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2cc(Cl)ccc21 ZINC000502501760 1095520930 /nfs/dbraw/zinc/52/09/30/1095520930.db2.gz SOYGELLBBCHETC-UHFFFAOYSA-N 1 2 362.864 4.388 20 30 FIEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2cc(Cl)ccc21 ZINC000502501760 1095520946 /nfs/dbraw/zinc/52/09/46/1095520946.db2.gz SOYGELLBBCHETC-UHFFFAOYSA-N 1 2 362.864 4.388 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507696 1095524950 /nfs/dbraw/zinc/52/49/50/1095524950.db2.gz OQLOFJIDEKEUPG-UHFFFAOYSA-N 1 2 373.500 4.411 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507696 1095524959 /nfs/dbraw/zinc/52/49/59/1095524959.db2.gz OQLOFJIDEKEUPG-UHFFFAOYSA-N 1 2 373.500 4.411 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000330346481 1095549301 /nfs/dbraw/zinc/54/93/01/1095549301.db2.gz GPWAYSOOEUQDGG-HXUWFJFHSA-N 1 2 364.493 4.175 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000502517255 1095553654 /nfs/dbraw/zinc/55/36/54/1095553654.db2.gz QGGUHUPUKAMKTF-UHFFFAOYSA-N 1 2 369.827 4.079 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000502517255 1095553665 /nfs/dbraw/zinc/55/36/65/1095553665.db2.gz QGGUHUPUKAMKTF-UHFFFAOYSA-N 1 2 369.827 4.079 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000502540134 1095563363 /nfs/dbraw/zinc/56/33/63/1095563363.db2.gz LDXZGZOPSXNKEN-UHFFFAOYSA-N 1 2 358.470 4.366 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000502540134 1095563374 /nfs/dbraw/zinc/56/33/74/1095563374.db2.gz LDXZGZOPSXNKEN-UHFFFAOYSA-N 1 2 358.470 4.366 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065317 1098733872 /nfs/dbraw/zinc/73/38/72/1098733872.db2.gz HCLWEJWDPUCFOG-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065317 1098733885 /nfs/dbraw/zinc/73/38/85/1098733885.db2.gz HCLWEJWDPUCFOG-HXUWFJFHSA-N 1 2 360.461 4.181 20 30 FIEDLO N#CCc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000436189892 1098796933 /nfs/dbraw/zinc/79/69/33/1098796933.db2.gz MBXZQABDLFTMOQ-UHFFFAOYSA-N 1 2 356.429 4.205 20 30 FIEDLO C[N@@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533176139 1098827428 /nfs/dbraw/zinc/82/74/28/1098827428.db2.gz PHFUBNXTFRJVFJ-JKSUJKDBSA-N 1 2 365.239 4.256 20 30 FIEDLO C[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533176139 1098827438 /nfs/dbraw/zinc/82/74/38/1098827438.db2.gz PHFUBNXTFRJVFJ-JKSUJKDBSA-N 1 2 365.239 4.256 20 30 FIEDLO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000533289753 1098939089 /nfs/dbraw/zinc/93/90/89/1098939089.db2.gz VYFRRZDWRXYSJR-MRXNPFEDSA-N 1 2 357.479 4.331 20 30 FIEDLO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2sccc2C#N)o1 ZINC000533289753 1098939096 /nfs/dbraw/zinc/93/90/96/1098939096.db2.gz VYFRRZDWRXYSJR-MRXNPFEDSA-N 1 2 357.479 4.331 20 30 FIEDLO C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1cccc(C#N)c1 ZINC000026329540 1099006117 /nfs/dbraw/zinc/00/61/17/1099006117.db2.gz WZSLOQJLRQRWRA-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1cccc(C#N)c1 ZINC000026329540 1099006130 /nfs/dbraw/zinc/00/61/30/1099006130.db2.gz WZSLOQJLRQRWRA-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO CC(C)(CCC#N)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425672572 1099491787 /nfs/dbraw/zinc/49/17/87/1099491787.db2.gz KWAQLTNQRMUDDX-UHFFFAOYSA-N 1 2 365.481 4.338 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OCC(F)(F)F)cc1 ZINC000162240034 1099665975 /nfs/dbraw/zinc/66/59/75/1099665975.db2.gz NKCVWPJZCFAPQS-UHFFFAOYSA-N 1 2 365.355 4.317 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506057222 1099950911 /nfs/dbraw/zinc/95/09/11/1099950911.db2.gz WHFDDXCCQWUTHO-KRWDZBQOSA-N 1 2 363.461 4.432 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125155 1100446248 /nfs/dbraw/zinc/44/62/48/1100446248.db2.gz WRBGWLFXZGVPHH-XZOQPEGZSA-N 1 2 374.463 4.342 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000438125155 1100446252 /nfs/dbraw/zinc/44/62/52/1100446252.db2.gz WRBGWLFXZGVPHH-XZOQPEGZSA-N 1 2 374.463 4.342 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475344 1101234064 /nfs/dbraw/zinc/23/40/64/1101234064.db2.gz IRSWZFVPULMFOH-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475344 1101234067 /nfs/dbraw/zinc/23/40/67/1101234067.db2.gz IRSWZFVPULMFOH-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000537039336 1101399024 /nfs/dbraw/zinc/39/90/24/1101399024.db2.gz MUDIGPDSRZAYQS-FUHWJXTLSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000537039336 1101399028 /nfs/dbraw/zinc/39/90/28/1101399028.db2.gz MUDIGPDSRZAYQS-FUHWJXTLSA-N 1 2 365.235 4.094 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000437972013 1101818351 /nfs/dbraw/zinc/81/83/51/1101818351.db2.gz GVQNEMYTZYTTSC-OAQYLSRUSA-N 1 2 358.445 4.197 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000437972013 1101818369 /nfs/dbraw/zinc/81/83/69/1101818369.db2.gz GVQNEMYTZYTTSC-OAQYLSRUSA-N 1 2 358.445 4.197 20 30 FIEDLO Clc1cc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)s1 ZINC000842016896 1102157467 /nfs/dbraw/zinc/15/74/67/1102157467.db2.gz DTKCIUXBLNYYGG-UHFFFAOYSA-N 1 2 371.289 4.442 20 30 FIEDLO C=CC[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666450351 1102215549 /nfs/dbraw/zinc/21/55/49/1102215549.db2.gz BVJWYOUFWWYVAA-KRWDZBQOSA-N 1 2 362.477 4.422 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670254 1102685577 /nfs/dbraw/zinc/68/55/77/1102685577.db2.gz WGAQIRSJFRWUDO-FUHWJXTLSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670254 1102685584 /nfs/dbraw/zinc/68/55/84/1102685584.db2.gz WGAQIRSJFRWUDO-FUHWJXTLSA-N 1 2 366.427 4.102 20 30 FIEDLO CC(C)(C)c1csc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000888220743 1102909840 /nfs/dbraw/zinc/90/98/40/1102909840.db2.gz HMFCNBDAFVSFMF-UHFFFAOYSA-N 1 2 357.483 4.052 20 30 FIEDLO CC(C)(C)c1csc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000888220743 1102909845 /nfs/dbraw/zinc/90/98/45/1102909845.db2.gz HMFCNBDAFVSFMF-UHFFFAOYSA-N 1 2 357.483 4.052 20 30 FIEDLO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1cc(Br)ccc1F ZINC000506995506 1103021636 /nfs/dbraw/zinc/02/16/36/1103021636.db2.gz RJMZZSZYTWCXSS-UHFFFAOYSA-N 1 2 351.219 4.463 20 30 FIEDLO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1cc(Br)ccc1F ZINC000506995506 1103021654 /nfs/dbraw/zinc/02/16/54/1103021654.db2.gz RJMZZSZYTWCXSS-UHFFFAOYSA-N 1 2 351.219 4.463 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000532712470 1103041282 /nfs/dbraw/zinc/04/12/82/1103041282.db2.gz RGOAIXAZMBAOMV-NRFANRHFSA-N 1 2 358.445 4.205 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000532712470 1103041300 /nfs/dbraw/zinc/04/13/00/1103041300.db2.gz RGOAIXAZMBAOMV-NRFANRHFSA-N 1 2 358.445 4.205 20 30 FIEDLO CCCc1csc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328638092 1104522133 /nfs/dbraw/zinc/52/21/33/1104522133.db2.gz BHLWWJGMYVFJRY-AWEZNQCLSA-N 1 2 373.526 4.054 20 30 FIEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000328696072 1104539399 /nfs/dbraw/zinc/53/93/99/1104539399.db2.gz KRMHHPPIYINQLT-LRDDRELGSA-N 1 2 370.478 4.217 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000328776970 1104556745 /nfs/dbraw/zinc/55/67/45/1104556745.db2.gz IHRHQDHNTUJAQO-SFHLNBCPSA-N 1 2 369.509 4.315 20 30 FIEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000328776970 1104556759 /nfs/dbraw/zinc/55/67/59/1104556759.db2.gz IHRHQDHNTUJAQO-SFHLNBCPSA-N 1 2 369.509 4.315 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000441435872 1104656382 /nfs/dbraw/zinc/65/63/82/1104656382.db2.gz DBPBLQMKVMLBHI-NRFANRHFSA-N 1 2 355.432 4.105 20 30 FIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000473977312 1104671624 /nfs/dbraw/zinc/67/16/24/1104671624.db2.gz VQSABZALKOUREI-LEWJYISDSA-N 1 2 371.444 4.114 20 30 FIEDLO COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1Br ZINC000178943908 1104787621 /nfs/dbraw/zinc/78/76/21/1104787621.db2.gz RPTKESMQQKDMGK-VOTSOKGWSA-N 1 2 357.207 4.002 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)cc1 ZINC000507825036 1105228605 /nfs/dbraw/zinc/22/86/05/1105228605.db2.gz QWWLOCSGURDJIT-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2c(s1)CCCC2 ZINC000531356600 1107780972 /nfs/dbraw/zinc/78/09/72/1107780972.db2.gz RUQHWCXIQODMEC-UHFFFAOYSA-N 1 2 364.474 4.040 20 30 FIEDLO C=CC[C@H]1N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCC1(C)C ZINC000444886048 1108261997 /nfs/dbraw/zinc/26/19/97/1108261997.db2.gz ONECVNLILUMUBJ-HXUWFJFHSA-N 1 2 366.509 4.208 20 30 FIEDLO N#Cc1cccc(COc2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2F)c1 ZINC000524494202 1109041494 /nfs/dbraw/zinc/04/14/94/1109041494.db2.gz IFMWOARYILKFDB-UHFFFAOYSA-N 1 2 359.364 4.291 20 30 FIEDLO N#C[C@H]1CC[C@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000450601134 1110317315 /nfs/dbraw/zinc/31/73/15/1110317315.db2.gz AKENTLYDXOXOHK-WMZOPIPTSA-N 1 2 367.522 4.038 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000539240705 1111490773 /nfs/dbraw/zinc/49/07/73/1111490773.db2.gz BAPBBAUHTNAGLS-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000539240705 1111490776 /nfs/dbraw/zinc/49/07/76/1111490776.db2.gz BAPBBAUHTNAGLS-UHFFFAOYSA-N 1 2 362.452 4.440 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Sc2ccccn2)o1 ZINC000552244201 1111635613 /nfs/dbraw/zinc/63/56/13/1111635613.db2.gz XUFBPJHNXHAZRR-UHFFFAOYSA-N 1 2 370.474 4.489 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Sc2ccccn2)o1 ZINC000552244201 1111635615 /nfs/dbraw/zinc/63/56/15/1111635615.db2.gz XUFBPJHNXHAZRR-UHFFFAOYSA-N 1 2 370.474 4.489 20 30 FIEDLO C=C(C)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000478920392 1111918478 /nfs/dbraw/zinc/91/84/78/1111918478.db2.gz GEUMVNUWSXAFGX-LJQANCHMSA-N 1 2 353.372 4.198 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1C#N ZINC000553385807 1111966614 /nfs/dbraw/zinc/96/66/14/1111966614.db2.gz ANXFKVWHACWLNP-UHFFFAOYSA-N 1 2 370.399 4.182 20 30 FIEDLO C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000479549843 1112065607 /nfs/dbraw/zinc/06/56/07/1112065607.db2.gz ALRVBZIZCWNQNA-MGPLVRAMSA-N 1 2 353.224 4.388 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000480754645 1112579410 /nfs/dbraw/zinc/57/94/10/1112579410.db2.gz DJWRCLCKVBRJLI-UHFFFAOYSA-N 1 2 371.843 4.201 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042467170 1113329029 /nfs/dbraw/zinc/32/90/29/1113329029.db2.gz FQGQYDSRDYWRPY-UHFFFAOYSA-N 1 2 371.531 4.152 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000482894412 1113393595 /nfs/dbraw/zinc/39/35/95/1113393595.db2.gz RJOCKZMUXHICOI-QGZVFWFLSA-N 1 2 362.477 4.300 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483060176 1113431265 /nfs/dbraw/zinc/43/12/65/1113431265.db2.gz VDXRSEKEIULCOZ-LPMFXHHGSA-N 1 2 365.502 4.128 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483060176 1113431269 /nfs/dbraw/zinc/43/12/69/1113431269.db2.gz VDXRSEKEIULCOZ-LPMFXHHGSA-N 1 2 365.502 4.128 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000029690020 1114353664 /nfs/dbraw/zinc/35/36/64/1114353664.db2.gz BPTMEITYJGZERO-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO C=CCc1cc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c(OC)c1 ZINC000164439792 1114495734 /nfs/dbraw/zinc/49/57/34/1114495734.db2.gz GZWMKVFHNQQJMX-UHFFFAOYSA-N 1 2 372.412 4.237 20 30 FIEDLO C=CCc1cc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c(O)c(OC)c1 ZINC000164439792 1114495735 /nfs/dbraw/zinc/49/57/35/1114495735.db2.gz GZWMKVFHNQQJMX-UHFFFAOYSA-N 1 2 372.412 4.237 20 30 FIEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000571915903 1114544998 /nfs/dbraw/zinc/54/49/98/1114544998.db2.gz OMDSYEHSQARNIQ-LBPRGKRZSA-N 1 2 354.281 4.336 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2cccc(F)c2C#N)c1 ZINC000589970575 1114868818 /nfs/dbraw/zinc/86/88/18/1114868818.db2.gz HPAWEUANXVZPPJ-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2cccc(F)c2C#N)c1 ZINC000589970575 1114868822 /nfs/dbraw/zinc/86/88/22/1114868822.db2.gz HPAWEUANXVZPPJ-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151059 1115206099 /nfs/dbraw/zinc/20/60/99/1115206099.db2.gz JVQJLODOOSIOAU-PIGZYNQJSA-N 1 2 366.248 4.060 20 30 FIEDLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151059 1115206102 /nfs/dbraw/zinc/20/61/02/1115206102.db2.gz JVQJLODOOSIOAU-PIGZYNQJSA-N 1 2 366.248 4.060 20 30 FIEDLO N#CC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCC1 ZINC000593198074 1115305726 /nfs/dbraw/zinc/30/57/26/1115305726.db2.gz BGUQDFUYZHXBFZ-UHFFFAOYSA-N 1 2 363.465 4.092 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1F ZINC000046529422 1115413755 /nfs/dbraw/zinc/41/37/55/1115413755.db2.gz IFJOBHMBERKSEA-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1F ZINC000046529422 1115413756 /nfs/dbraw/zinc/41/37/56/1115413756.db2.gz IFJOBHMBERKSEA-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1nn(-c2ccccc2Br)cc1C[N@H+](CCC#N)CC1CC1 ZINC000594603754 1115463482 /nfs/dbraw/zinc/46/34/82/1115463482.db2.gz VBAWETNTPXQIFS-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000594603754 1115463483 /nfs/dbraw/zinc/46/34/83/1115463483.db2.gz VBAWETNTPXQIFS-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO N#CCCC[C@@H]([NH2+]Cc1ncsc1Br)c1ccccc1 ZINC000595500814 1115538924 /nfs/dbraw/zinc/53/89/24/1115538924.db2.gz FQDCHJFXAGUPFQ-CYBMUJFWSA-N 1 2 350.285 4.430 20 30 FIEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C#N ZINC000595514980 1115539566 /nfs/dbraw/zinc/53/95/66/1115539566.db2.gz LJVZNGJVHVRLPX-LBPRGKRZSA-N 1 2 354.841 4.290 20 30 FIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C#N ZINC000595514980 1115539567 /nfs/dbraw/zinc/53/95/67/1115539567.db2.gz LJVZNGJVHVRLPX-LBPRGKRZSA-N 1 2 354.841 4.290 20 30 FIEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595610952 1115552940 /nfs/dbraw/zinc/55/29/40/1115552940.db2.gz DSIUGUWRUWDCOD-INIZCTEOSA-N 1 2 354.454 4.041 20 30 FIEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595610952 1115552942 /nfs/dbraw/zinc/55/29/42/1115552942.db2.gz DSIUGUWRUWDCOD-INIZCTEOSA-N 1 2 354.454 4.041 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cc1OC ZINC000595611460 1115553952 /nfs/dbraw/zinc/55/39/52/1115553952.db2.gz DMZABLQAWCQWNO-HNNXBMFYSA-N 1 2 371.506 4.343 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cc1OC ZINC000595611460 1115553956 /nfs/dbraw/zinc/55/39/56/1115553956.db2.gz DMZABLQAWCQWNO-HNNXBMFYSA-N 1 2 371.506 4.343 20 30 FIEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000597183960 1115647409 /nfs/dbraw/zinc/64/74/09/1115647409.db2.gz OPZNXVCPQSDGRX-UHFFFAOYSA-N 1 2 372.544 4.127 20 30 FIEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621025 1115740324 /nfs/dbraw/zinc/74/03/24/1115740324.db2.gz QWLCRDQPBPIMTF-RHSMWYFYSA-N 1 2 360.889 4.044 20 30 FIEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621025 1115740329 /nfs/dbraw/zinc/74/03/29/1115740329.db2.gz QWLCRDQPBPIMTF-RHSMWYFYSA-N 1 2 360.889 4.044 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000599677948 1115835489 /nfs/dbraw/zinc/83/54/89/1115835489.db2.gz FAOIHHORPJRZIO-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000599677948 1115835491 /nfs/dbraw/zinc/83/54/91/1115835491.db2.gz FAOIHHORPJRZIO-UHFFFAOYSA-N 1 2 364.836 4.014 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685263 1115837920 /nfs/dbraw/zinc/83/79/20/1115837920.db2.gz CNFVWIVEFZJVII-QGZVFWFLSA-N 1 2 361.489 4.261 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685263 1115837922 /nfs/dbraw/zinc/83/79/22/1115837922.db2.gz CNFVWIVEFZJVII-QGZVFWFLSA-N 1 2 361.489 4.261 20 30 FIEDLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604508737 1115868517 /nfs/dbraw/zinc/86/85/17/1115868517.db2.gz RGFNCVDNUWNKOF-GOSISDBHSA-N 1 2 370.884 4.350 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4cccc(Cl)c4)no3)CCC2)cc1 ZINC000594029228 1115964671 /nfs/dbraw/zinc/96/46/71/1115964671.db2.gz BIDOQXYUXYJTEO-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO COc1ccc(-c2cnc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)o2)cc1 ZINC000594031435 1115965197 /nfs/dbraw/zinc/96/51/97/1115965197.db2.gz GFCBDBGOJVWAMV-UHFFFAOYSA-N 1 2 359.429 4.391 20 30 FIEDLO C=C(C)[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000491224797 1116185674 /nfs/dbraw/zinc/18/56/74/1116185674.db2.gz SOGPSBQLIRISJN-FQEVSTJZSA-N 1 2 354.404 4.012 20 30 FIEDLO Cc1c(C#N)cccc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535303934 1116293611 /nfs/dbraw/zinc/29/36/11/1116293611.db2.gz NDKOPQSWAGWQOO-UHFFFAOYSA-N 1 2 369.428 4.426 20 30 FIEDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(C#N)cs1 ZINC000122155370 1116299158 /nfs/dbraw/zinc/29/91/58/1116299158.db2.gz WLGQLMOCKXVCBU-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(C#N)cs1 ZINC000122155370 1116299160 /nfs/dbraw/zinc/29/91/60/1116299160.db2.gz WLGQLMOCKXVCBU-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889060 1116395405 /nfs/dbraw/zinc/39/54/05/1116395405.db2.gz QHNAMZRMYOQEGK-ZIAGYGMSSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889060 1116395407 /nfs/dbraw/zinc/39/54/07/1116395407.db2.gz QHNAMZRMYOQEGK-ZIAGYGMSSA-N 1 2 362.408 4.255 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542318724 1118900627 /nfs/dbraw/zinc/90/06/27/1118900627.db2.gz YWPHVMPGSFMTJZ-CYBMUJFWSA-N 1 2 371.344 4.072 20 30 FIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542318724 1118900628 /nfs/dbraw/zinc/90/06/28/1118900628.db2.gz YWPHVMPGSFMTJZ-CYBMUJFWSA-N 1 2 371.344 4.072 20 30 FIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1c(F)cccc1F ZINC000492720758 1119172509 /nfs/dbraw/zinc/17/25/09/1119172509.db2.gz IKFDDAPTEYAHAM-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccncc1 ZINC000191503963 1119980618 /nfs/dbraw/zinc/98/06/18/1119980618.db2.gz LCJGTFSXAXYAKG-UHFFFAOYSA-N 1 2 374.473 4.004 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CCO2)c1 ZINC000761755990 1120337770 /nfs/dbraw/zinc/33/77/70/1120337770.db2.gz AEBXFRWCGOELAB-IBGZPJMESA-N 1 2 358.894 4.377 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CCO2)c1 ZINC000761755990 1120337775 /nfs/dbraw/zinc/33/77/75/1120337775.db2.gz AEBXFRWCGOELAB-IBGZPJMESA-N 1 2 358.894 4.377 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CCO2)c1 ZINC000761759592 1120355408 /nfs/dbraw/zinc/35/54/08/1120355408.db2.gz ZNBGIUDCBRILPO-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CCO2)c1 ZINC000761759592 1120355411 /nfs/dbraw/zinc/35/54/11/1120355411.db2.gz ZNBGIUDCBRILPO-HXUWFJFHSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CCO2)c1 ZINC000761759590 1120355523 /nfs/dbraw/zinc/35/55/23/1120355523.db2.gz ZNBGIUDCBRILPO-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CCO2)c1 ZINC000761759590 1120355527 /nfs/dbraw/zinc/35/55/27/1120355527.db2.gz ZNBGIUDCBRILPO-FQEVSTJZSA-N 1 2 363.848 4.333 20 30 FIEDLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000080722194 1121302337 /nfs/dbraw/zinc/30/23/37/1121302337.db2.gz RNTHDMZYDCXGRC-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000080722194 1121302346 /nfs/dbraw/zinc/30/23/46/1121302346.db2.gz RNTHDMZYDCXGRC-ZDUSSCGKSA-N 1 2 352.825 4.455 20 30 FIEDLO CC(C)(C#N)CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000078925175 1121305210 /nfs/dbraw/zinc/30/52/10/1121305210.db2.gz YPUHIERKJRAAGK-UHFFFAOYSA-N 1 2 369.538 4.285 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000108359717 1121532717 /nfs/dbraw/zinc/53/27/17/1121532717.db2.gz NVUJYPYSYFCBLT-MAUKXSAKSA-N 1 2 368.506 4.185 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000108359717 1121532723 /nfs/dbraw/zinc/53/27/23/1121532723.db2.gz NVUJYPYSYFCBLT-MAUKXSAKSA-N 1 2 368.506 4.185 20 30 FIEDLO Cn1c2ccc(Cl)cc2n(C[N@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000917429826 1122310752 /nfs/dbraw/zinc/31/07/52/1122310752.db2.gz YJXXTKJUKXRJEP-UHFFFAOYSA-N 1 2 356.882 4.324 20 30 FIEDLO Cn1c2ccc(Cl)cc2n(C[N@@H+](C)Cc2ccc(C#N)cc2)c1=S ZINC000917429826 1122310757 /nfs/dbraw/zinc/31/07/57/1122310757.db2.gz YJXXTKJUKXRJEP-UHFFFAOYSA-N 1 2 356.882 4.324 20 30 FIEDLO N#CCC[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC000130541659 1122423704 /nfs/dbraw/zinc/42/37/04/1122423704.db2.gz ZPKZNTKLUSBTRV-INIZCTEOSA-N 1 2 373.250 4.312 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000130907924 1122951093 /nfs/dbraw/zinc/95/10/93/1122951093.db2.gz UCXLARMCICIOTI-YSIASYRMSA-N 1 2 352.482 4.183 20 30 FIEDLO Cc1cc(C(N)=[NH+]OCc2ncc(-c3cccc(Cl)c3)o2)ccc1F ZINC000920401334 1123451953 /nfs/dbraw/zinc/45/19/53/1123451953.db2.gz QRPZAZNRFPSSSV-UHFFFAOYSA-N 1 2 359.788 4.280 20 30 FIEDLO N#Cc1cccnc1NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000301216306 1124204568 /nfs/dbraw/zinc/20/45/68/1124204568.db2.gz YGVWCBOLIGJOIP-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301348425 1124220825 /nfs/dbraw/zinc/22/08/25/1124220825.db2.gz HZJKSYRQMFMLIO-UHFFFAOYSA-N 1 2 357.392 4.352 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(OC)cc1 ZINC000108238869 1124266230 /nfs/dbraw/zinc/26/62/30/1124266230.db2.gz DKUZLGQCEZZOMS-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(OC)cc1 ZINC000108238869 1124266234 /nfs/dbraw/zinc/26/62/34/1124266234.db2.gz DKUZLGQCEZZOMS-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO CCC[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000075626827 1124909750 /nfs/dbraw/zinc/90/97/50/1124909750.db2.gz DATLEMGBOHOADI-UHFFFAOYSA-N 1 2 360.461 4.139 20 30 FIEDLO CCC[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000075626827 1124909757 /nfs/dbraw/zinc/90/97/57/1124909757.db2.gz DATLEMGBOHOADI-UHFFFAOYSA-N 1 2 360.461 4.139 20 30 FIEDLO CCSCc1cc[nH+]c(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000182180059 1125278192 /nfs/dbraw/zinc/27/81/92/1125278192.db2.gz WVQUCJHXCANPCM-UHFFFAOYSA-N 1 2 363.490 4.219 20 30 FIEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602691447 568015330 /nfs/dbraw/zinc/01/53/30/568015330.db2.gz GIXITVILSJCOKQ-DYVFJYSZSA-N 1 2 362.399 4.304 20 30 FIEDLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602992967 568040443 /nfs/dbraw/zinc/04/04/43/568040443.db2.gz LNZLTKIAOBDIEY-VQIMIIECSA-N 1 2 363.465 4.042 20 30 FIEDLO N#Cc1ccc(F)c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000604276935 568240007 /nfs/dbraw/zinc/24/00/07/568240007.db2.gz YTCGFEBTVPWPJT-VXGBXAGGSA-N 1 2 354.269 4.260 20 30 FIEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1c2c(ccc1OC)CCC2 ZINC000330341287 568267312 /nfs/dbraw/zinc/26/73/12/568267312.db2.gz ZBGBMPIRNPDTRO-KRWDZBQOSA-N 1 2 368.481 4.173 20 30 FIEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068489 568270281 /nfs/dbraw/zinc/27/02/81/568270281.db2.gz OWCRQHAHHGPRDU-VBKZILBWSA-N 1 2 369.415 4.025 20 30 FIEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068489 568270283 /nfs/dbraw/zinc/27/02/83/568270283.db2.gz OWCRQHAHHGPRDU-VBKZILBWSA-N 1 2 369.415 4.025 20 30 FIEDLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604508738 568305799 /nfs/dbraw/zinc/30/57/99/568305799.db2.gz RGFNCVDNUWNKOF-SFHVURJKSA-N 1 2 370.884 4.350 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301873693 568355630 /nfs/dbraw/zinc/35/56/30/568355630.db2.gz LJZIZPNURJMJCJ-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C=CCOc1cccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543035537 1125516537 /nfs/dbraw/zinc/51/65/37/1125516537.db2.gz GAZUHXNOOHQLHY-UHFFFAOYSA-N 1 2 368.481 4.172 20 30 FIEDLO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)cc(F)c1O ZINC000799725047 1079651016 /nfs/dbraw/zinc/65/10/16/1079651016.db2.gz CMDZBUYEXOZLAP-UNXYVOJBSA-N 1 2 355.251 4.274 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001143376694 1080349973 /nfs/dbraw/zinc/34/99/73/1080349973.db2.gz FMKCUYNGUVUXCM-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001143376694 1080349980 /nfs/dbraw/zinc/34/99/80/1080349980.db2.gz FMKCUYNGUVUXCM-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000610246963 1080586634 /nfs/dbraw/zinc/58/66/34/1080586634.db2.gz YOEYYGZYTIISRW-AVRDEDQJSA-N 1 2 373.456 4.294 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000187462642 1082980765 /nfs/dbraw/zinc/98/07/65/1082980765.db2.gz FCAALRTYJGJBRW-UHFFFAOYSA-N 1 2 368.790 4.264 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000430721273 1083132450 /nfs/dbraw/zinc/13/24/50/1083132450.db2.gz BTZGRVLSBGFUDE-SFTDATJTSA-N 1 2 372.472 4.153 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000430721273 1083132454 /nfs/dbraw/zinc/13/24/54/1083132454.db2.gz BTZGRVLSBGFUDE-SFTDATJTSA-N 1 2 372.472 4.153 20 30 FIEDLO N#CCCCOc1cccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000610583450 1083216565 /nfs/dbraw/zinc/21/65/65/1083216565.db2.gz LNEQTURILCCCLT-UHFFFAOYSA-N 1 2 352.331 4.215 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548883945 1083504942 /nfs/dbraw/zinc/50/49/42/1083504942.db2.gz PZVCJKPLVCDEJH-UHFFFAOYSA-N 1 2 355.507 4.216 20 30 FIEDLO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)on2)cc1 ZINC000612189649 1083536038 /nfs/dbraw/zinc/53/60/38/1083536038.db2.gz IUHMOBJYGHCXGW-ZDUSSCGKSA-N 1 2 351.381 4.212 20 30 FIEDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)o1 ZINC000179609302 1083570495 /nfs/dbraw/zinc/57/04/95/1083570495.db2.gz HFVNGZIILFWYPV-UHFFFAOYSA-N 1 2 366.248 4.309 20 30 FIEDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)o1 ZINC000179609302 1083570507 /nfs/dbraw/zinc/57/05/07/1083570507.db2.gz HFVNGZIILFWYPV-UHFFFAOYSA-N 1 2 366.248 4.309 20 30 FIEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000413826403 1083921686 /nfs/dbraw/zinc/92/16/86/1083921686.db2.gz QKHCHULCOLBPNL-IBGZPJMESA-N 1 2 367.493 4.036 20 30 FIEDLO C=CC[C@H]1N(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1(C)C ZINC000685835495 1084290489 /nfs/dbraw/zinc/29/04/89/1084290489.db2.gz AXFQAYVJEZGKOE-HXUWFJFHSA-N 1 2 351.494 4.067 20 30 FIEDLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000934290371 1084633085 /nfs/dbraw/zinc/63/30/85/1084633085.db2.gz LRPMUJBOZHQTAI-LJQANCHMSA-N 1 2 361.449 4.189 20 30 FIEDLO Cc1cc(N2CCN(c3cccc(C(F)F)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000582456645 1084693887 /nfs/dbraw/zinc/69/38/87/1084693887.db2.gz CMJHRILNWRVZDL-UHFFFAOYSA-N 1 2 371.435 4.044 20 30 FIEDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000375726879 1085331374 /nfs/dbraw/zinc/33/13/74/1085331374.db2.gz YZGQNQBOAVYIRK-LEWJYISDSA-N 1 2 360.461 4.131 20 30 FIEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1cccs1 ZINC000661150120 1085420461 /nfs/dbraw/zinc/42/04/61/1085420461.db2.gz IIAPQGONDPFYND-QGZVFWFLSA-N 1 2 355.507 4.023 20 30 FIEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1cccs1 ZINC000661150120 1085420471 /nfs/dbraw/zinc/42/04/71/1085420471.db2.gz IIAPQGONDPFYND-QGZVFWFLSA-N 1 2 355.507 4.023 20 30 FIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075766933 1085545789 /nfs/dbraw/zinc/54/57/89/1085545789.db2.gz KKUQHBBYDLNWPW-ZDUSSCGKSA-N 1 2 367.478 4.129 20 30 FIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075766933 1085545796 /nfs/dbraw/zinc/54/57/96/1085545796.db2.gz KKUQHBBYDLNWPW-ZDUSSCGKSA-N 1 2 367.478 4.129 20 30 FIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661419731 1085563989 /nfs/dbraw/zinc/56/39/89/1085563989.db2.gz PWDRGQSQOBSBNT-QWFCFKBJSA-N 1 2 370.541 4.243 20 30 FIEDLO N#Cc1cnn2cc(C[NH2+]C3(c4c(Cl)cccc4Cl)CCC3)cnc12 ZINC000582905477 1085908053 /nfs/dbraw/zinc/90/80/53/1085908053.db2.gz QQAGKXMVFFUHHJ-UHFFFAOYSA-N 1 2 372.259 4.077 20 30 FIEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086480 1086001473 /nfs/dbraw/zinc/00/14/73/1086001473.db2.gz QQFAYXGOXAWCLJ-UHFFFAOYSA-N 1 2 370.459 4.262 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000125900074 1086613811 /nfs/dbraw/zinc/61/38/11/1086613811.db2.gz BGRYVAVNMYLYKR-QFIPXVFZSA-N 1 2 370.431 4.463 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245843318 1086853085 /nfs/dbraw/zinc/85/30/85/1086853085.db2.gz KIYHHVKRSAUOOQ-KURKYZTESA-N 1 2 359.514 4.162 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245843318 1086853101 /nfs/dbraw/zinc/85/31/01/1086853101.db2.gz KIYHHVKRSAUOOQ-KURKYZTESA-N 1 2 359.514 4.162 20 30 FIEDLO O=C(Nc1cccc(CSC2CCOCC2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329480910 1086985424 /nfs/dbraw/zinc/98/54/24/1086985424.db2.gz RADVFDHLYPOXGN-MRXNPFEDSA-N 1 2 371.506 4.146 20 30 FIEDLO C=CCC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000502016871 1087451279 /nfs/dbraw/zinc/45/12/79/1087451279.db2.gz LHZSLHZTUWYJTG-MRXNPFEDSA-N 1 2 351.372 4.185 20 30 FIEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000502016871 1087451280 /nfs/dbraw/zinc/45/12/80/1087451280.db2.gz LHZSLHZTUWYJTG-MRXNPFEDSA-N 1 2 351.372 4.185 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000505052827 1088097939 /nfs/dbraw/zinc/09/79/39/1088097939.db2.gz YQFBJCDSHMFFGC-QGZVFWFLSA-N 1 2 352.482 4.025 20 30 FIEDLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143485846 1088976709 /nfs/dbraw/zinc/97/67/09/1088976709.db2.gz NDIIJUJCRPWYGV-UHFFFAOYSA-N 1 2 356.416 4.421 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000434737412 1089009009 /nfs/dbraw/zinc/00/90/09/1089009009.db2.gz KGFITUNRDWKXMZ-GOSISDBHSA-N 1 2 369.465 4.217 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000434737412 1089009024 /nfs/dbraw/zinc/00/90/24/1089009024.db2.gz KGFITUNRDWKXMZ-GOSISDBHSA-N 1 2 369.465 4.217 20 30 FIEDLO CCC(CC)CN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425179158 1089026357 /nfs/dbraw/zinc/02/63/57/1089026357.db2.gz OXGAWISXQHYQJH-LJQANCHMSA-N 1 2 352.482 4.110 20 30 FIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000435063587 1089253911 /nfs/dbraw/zinc/25/39/11/1089253911.db2.gz BUTCBTVFOYHBKL-UHFFFAOYSA-N 1 2 370.456 4.076 20 30 FIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000435063587 1089253924 /nfs/dbraw/zinc/25/39/24/1089253924.db2.gz BUTCBTVFOYHBKL-UHFFFAOYSA-N 1 2 370.456 4.076 20 30 FIEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccoc1 ZINC000162336782 1090658832 /nfs/dbraw/zinc/65/88/32/1090658832.db2.gz UETJEHIFGITNHO-UHFFFAOYSA-N 1 2 359.857 4.010 20 30 FIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccoc1 ZINC000162336782 1090658841 /nfs/dbraw/zinc/65/88/41/1090658841.db2.gz UETJEHIFGITNHO-UHFFFAOYSA-N 1 2 359.857 4.010 20 30 FIEDLO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000584545529 1091159537 /nfs/dbraw/zinc/15/95/37/1091159537.db2.gz YLDQSHKRUXHCDE-ZDUSSCGKSA-N 1 2 366.852 4.444 20 30 FIEDLO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000584545529 1091159545 /nfs/dbraw/zinc/15/95/45/1091159545.db2.gz YLDQSHKRUXHCDE-ZDUSSCGKSA-N 1 2 366.852 4.444 20 30 FIEDLO C=CCC(C)(C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000432597372 1091975721 /nfs/dbraw/zinc/97/57/21/1091975721.db2.gz LETHILVBCJNMLN-IBGZPJMESA-N 1 2 354.498 4.143 20 30 FIEDLO C=CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000512380239 1092193159 /nfs/dbraw/zinc/19/31/59/1092193159.db2.gz YHMGJRVFNLDTSH-UHFFFAOYSA-N 1 2 356.470 4.351 20 30 FIEDLO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000512380239 1092193162 /nfs/dbraw/zinc/19/31/62/1092193162.db2.gz YHMGJRVFNLDTSH-UHFFFAOYSA-N 1 2 356.470 4.351 20 30 FIEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000432932844 1092966316 /nfs/dbraw/zinc/96/63/16/1092966316.db2.gz KORHHQALTQGDDD-LJQANCHMSA-N 1 2 358.445 4.283 20 30 FIEDLO C=C(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccccc1 ZINC000512659329 1093095017 /nfs/dbraw/zinc/09/50/17/1093095017.db2.gz FTNLFSGOPIMBIW-FGZHOGPDSA-N 1 2 372.472 4.124 20 30 FIEDLO CCC(CC)n1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000512829734 1093407537 /nfs/dbraw/zinc/40/75/37/1093407537.db2.gz WYHSPYYGICYMPZ-UHFFFAOYSA-N 1 2 370.472 4.298 20 30 FIEDLO Cc1ccc(CC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1C ZINC000428755079 1093638206 /nfs/dbraw/zinc/63/82/06/1093638206.db2.gz XIZJDJCXOFSTGB-UHFFFAOYSA-N 1 2 367.518 4.130 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3c(F)ccc(Br)c3F)CC2)c1 ZINC000501011518 1094420391 /nfs/dbraw/zinc/42/03/91/1094420391.db2.gz RAKCPFOZXYOSFH-UHFFFAOYSA-N 1 2 363.205 4.378 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC12CCCCC2 ZINC000329013893 1094712206 /nfs/dbraw/zinc/71/22/06/1094712206.db2.gz FOXDSHCWKSZSCA-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC12CCCCC2 ZINC000329013893 1094712216 /nfs/dbraw/zinc/71/22/16/1094712216.db2.gz FOXDSHCWKSZSCA-SFHVURJKSA-N 1 2 371.525 4.147 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3cccnc3)n2)C1 ZINC000329102614 1094740230 /nfs/dbraw/zinc/74/02/30/1094740230.db2.gz NHFFGKNTASKGGR-CQSZACIVSA-N 1 2 358.511 4.336 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3cccnc3)n2)C1 ZINC000329102614 1094740244 /nfs/dbraw/zinc/74/02/44/1094740244.db2.gz NHFFGKNTASKGGR-CQSZACIVSA-N 1 2 358.511 4.336 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329437941 1094905823 /nfs/dbraw/zinc/90/58/23/1094905823.db2.gz JLOOHSJVZXQMND-AWEZNQCLSA-N 1 2 359.499 4.339 20 30 FIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000513732148 1095152642 /nfs/dbraw/zinc/15/26/42/1095152642.db2.gz BMLDLSYPLIRNHZ-GWCFXTLKSA-N 1 2 354.294 4.293 20 30 FIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000513732148 1095152649 /nfs/dbraw/zinc/15/26/49/1095152649.db2.gz BMLDLSYPLIRNHZ-GWCFXTLKSA-N 1 2 354.294 4.293 20 30 FIEDLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000329720122 1095218450 /nfs/dbraw/zinc/21/84/50/1095218450.db2.gz BMWVVRQOKVOBSA-DVOMOZLQSA-N 1 2 374.485 4.467 20 30 FIEDLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000329720122 1095218461 /nfs/dbraw/zinc/21/84/61/1095218461.db2.gz BMWVVRQOKVOBSA-DVOMOZLQSA-N 1 2 374.485 4.467 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329830646 1095284009 /nfs/dbraw/zinc/28/40/09/1095284009.db2.gz JVXUZMJRZWYRFM-JLZZUVOBSA-N 1 2 361.873 4.078 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329830646 1095284021 /nfs/dbraw/zinc/28/40/21/1095284021.db2.gz JVXUZMJRZWYRFM-JLZZUVOBSA-N 1 2 361.873 4.078 20 30 FIEDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2cccc(F)c2o1 ZINC000329912447 1095312723 /nfs/dbraw/zinc/31/27/23/1095312723.db2.gz BGSAPUOKQXMUET-ZQIUZPCESA-N 1 2 370.428 4.327 20 30 FIEDLO Cc1csc(-c2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)n1 ZINC000329948546 1095325482 /nfs/dbraw/zinc/32/54/82/1095325482.db2.gz ZDZRBTPJIKQDLF-UHFFFAOYSA-N 1 2 367.478 4.267 20 30 FIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330101058 1095382697 /nfs/dbraw/zinc/38/26/97/1095382697.db2.gz FEZHEPIGWBURBJ-HYFFOGBASA-N 1 2 368.477 4.086 20 30 FIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330101058 1095382709 /nfs/dbraw/zinc/38/27/09/1095382709.db2.gz FEZHEPIGWBURBJ-HYFFOGBASA-N 1 2 368.477 4.086 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000502521321 1095535038 /nfs/dbraw/zinc/53/50/38/1095535038.db2.gz GSHKRILRDGSAHJ-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000502521321 1095535058 /nfs/dbraw/zinc/53/50/58/1095535058.db2.gz GSHKRILRDGSAHJ-UHFFFAOYSA-N 1 2 353.809 4.409 20 30 FIEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527005 1095542208 /nfs/dbraw/zinc/54/22/08/1095542208.db2.gz FCKVCUJUXOBSNC-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527005 1095542219 /nfs/dbraw/zinc/54/22/19/1095542219.db2.gz FCKVCUJUXOBSNC-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529324 1095543768 /nfs/dbraw/zinc/54/37/68/1095543768.db2.gz OAZAXTBXMADWFN-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529324 1095543797 /nfs/dbraw/zinc/54/37/97/1095543797.db2.gz OAZAXTBXMADWFN-UHFFFAOYSA-N 1 2 365.864 4.248 20 30 FIEDLO N#Cc1ccc2ncc(CNc3cccc(-c4[nH+]cc5n4CCCC5)c3)n2c1 ZINC000444015286 1095615073 /nfs/dbraw/zinc/61/50/73/1095615073.db2.gz KUGIEOBAUBIBIR-UHFFFAOYSA-N 1 2 368.444 4.018 20 30 FIEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166889 1095805908 /nfs/dbraw/zinc/80/59/08/1095805908.db2.gz KKPDCHYLWAAWFD-DJJJIMSYSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166889 1095805931 /nfs/dbraw/zinc/80/59/31/1095805931.db2.gz KKPDCHYLWAAWFD-DJJJIMSYSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000532926067 1098596345 /nfs/dbraw/zinc/59/63/45/1098596345.db2.gz OBMDHINCRZEEOU-LSDHHAIUSA-N 1 2 357.479 4.163 20 30 FIEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000532926067 1098596355 /nfs/dbraw/zinc/59/63/55/1098596355.db2.gz OBMDHINCRZEEOU-LSDHHAIUSA-N 1 2 357.479 4.163 20 30 FIEDLO Cc1cc(C)c(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c[nH+]1 ZINC000454751757 1098738480 /nfs/dbraw/zinc/73/84/80/1098738480.db2.gz CXDMCVJPFCUTAY-OAHLLOKOSA-N 1 2 354.479 4.414 20 30 FIEDLO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533176136 1098827208 /nfs/dbraw/zinc/82/72/08/1098827208.db2.gz PHFUBNXTFRJVFJ-CVEARBPZSA-N 1 2 365.239 4.256 20 30 FIEDLO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533176136 1098827221 /nfs/dbraw/zinc/82/72/21/1098827221.db2.gz PHFUBNXTFRJVFJ-CVEARBPZSA-N 1 2 365.239 4.256 20 30 FIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515737420 1098904042 /nfs/dbraw/zinc/90/40/42/1098904042.db2.gz HZYDPYQLUWNNPB-GHMZBOCLSA-N 1 2 363.795 4.168 20 30 FIEDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000533274756 1098924460 /nfs/dbraw/zinc/92/44/60/1098924460.db2.gz SFQBNPHHKFMMTK-UHFFFAOYSA-N 1 2 373.547 4.329 20 30 FIEDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000533274756 1098924463 /nfs/dbraw/zinc/92/44/63/1098924463.db2.gz SFQBNPHHKFMMTK-UHFFFAOYSA-N 1 2 373.547 4.329 20 30 FIEDLO COc1cc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ccc1C ZINC000425532699 1098974617 /nfs/dbraw/zinc/97/46/17/1098974617.db2.gz JTMYXNUSOICYGD-HNNXBMFYSA-N 1 2 362.433 4.118 20 30 FIEDLO COc1cc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ccc1C ZINC000425532699 1098974619 /nfs/dbraw/zinc/97/46/19/1098974619.db2.gz JTMYXNUSOICYGD-HNNXBMFYSA-N 1 2 362.433 4.118 20 30 FIEDLO Cc1cc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ccc1F ZINC000425541802 1098995179 /nfs/dbraw/zinc/99/51/79/1098995179.db2.gz XHIBNJKDOSJVDO-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)ccc1F ZINC000425541802 1098995185 /nfs/dbraw/zinc/99/51/85/1098995185.db2.gz XHIBNJKDOSJVDO-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000516102603 1099175814 /nfs/dbraw/zinc/17/58/14/1099175814.db2.gz RGQYAVQVGZAXCQ-UHFFFAOYSA-N 1 2 367.880 4.045 20 30 FIEDLO CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000436698150 1099229432 /nfs/dbraw/zinc/22/94/32/1099229432.db2.gz OQPHQJWOFRSPCF-INIZCTEOSA-N 1 2 350.447 4.001 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516199690 1099262747 /nfs/dbraw/zinc/26/27/47/1099262747.db2.gz MLOUGBCMKRHHNG-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516199690 1099262760 /nfs/dbraw/zinc/26/27/60/1099262760.db2.gz MLOUGBCMKRHHNG-QZTJIDSGSA-N 1 2 365.235 4.094 20 30 FIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455511706 1099293941 /nfs/dbraw/zinc/29/39/41/1099293941.db2.gz HUJBKEXRHSIKEU-UHFFFAOYSA-N 1 2 355.486 4.394 20 30 FIEDLO CCOC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000506012545 1099765091 /nfs/dbraw/zinc/76/50/91/1099765091.db2.gz LJYRVSMRCQPBMD-UHFFFAOYSA-N 1 2 360.454 4.343 20 30 FIEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000428687678 1100024368 /nfs/dbraw/zinc/02/43/68/1100024368.db2.gz DOTUSLWZIGFIQM-UHFFFAOYSA-N 1 2 369.831 4.068 20 30 FIEDLO CCc1sc(-c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000506138114 1100217279 /nfs/dbraw/zinc/21/72/79/1100217279.db2.gz ZVCZYMWBELJLJU-UHFFFAOYSA-N 1 2 352.463 4.173 20 30 FIEDLO CCc1sc(-c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1C ZINC000506138114 1100217288 /nfs/dbraw/zinc/21/72/88/1100217288.db2.gz ZVCZYMWBELJLJU-UHFFFAOYSA-N 1 2 352.463 4.173 20 30 FIEDLO C=C1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000518162803 1100951718 /nfs/dbraw/zinc/95/17/18/1100951718.db2.gz JQFUMCLTXDVKTM-OAQYLSRUSA-N 1 2 354.881 4.198 20 30 FIEDLO O=c1[nH]c2ccccc2n1C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426356075 1101355423 /nfs/dbraw/zinc/35/54/23/1101355423.db2.gz GZFQTVGNLTXXHH-UHFFFAOYSA-N 1 2 365.864 4.084 20 30 FIEDLO Cn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc2ccc(Cl)cc21 ZINC000506556895 1101381103 /nfs/dbraw/zinc/38/11/03/1101381103.db2.gz VKNDNSWIFYQCOE-UHFFFAOYSA-N 1 2 350.853 4.263 20 30 FIEDLO Cn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc2ccc(Cl)cc21 ZINC000506556895 1101381116 /nfs/dbraw/zinc/38/11/16/1101381116.db2.gz VKNDNSWIFYQCOE-UHFFFAOYSA-N 1 2 350.853 4.263 20 30 FIEDLO Cc1c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cnn1-c1ccccc1 ZINC000783705883 1101507443 /nfs/dbraw/zinc/50/74/43/1101507443.db2.gz LJSNJRIXOCJRJD-FPLPWBNLSA-N 1 2 360.442 4.324 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000537172110 1101516246 /nfs/dbraw/zinc/51/62/46/1101516246.db2.gz YTUPJSOOHASJAY-MOPGFXCFSA-N 1 2 366.480 4.391 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426765 1101560961 /nfs/dbraw/zinc/56/09/61/1101560961.db2.gz JAOKXYKUOCGVKD-KPZWWZAWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426765 1101560972 /nfs/dbraw/zinc/56/09/72/1101560972.db2.gz JAOKXYKUOCGVKD-KPZWWZAWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427977 1101577782 /nfs/dbraw/zinc/57/77/82/1101577782.db2.gz QKWRETLHPJLCEZ-BUXKBTBVSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427977 1101577791 /nfs/dbraw/zinc/57/77/91/1101577791.db2.gz QKWRETLHPJLCEZ-BUXKBTBVSA-N 1 2 371.481 4.397 20 30 FIEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000610272916 1101660949 /nfs/dbraw/zinc/66/09/49/1101660949.db2.gz YFCMJZWSYQQXJJ-CQSZACIVSA-N 1 2 366.465 4.190 20 30 FIEDLO CCOc1ccc(/C=[NH+]/C[C@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000760227427 1101878794 /nfs/dbraw/zinc/87/87/94/1101878794.db2.gz PKPLUCRVZNWJOV-HADWXUJASA-N 1 2 351.406 4.064 20 30 FIEDLO C=CC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000111257183 1102496579 /nfs/dbraw/zinc/49/65/79/1102496579.db2.gz RMPGRIUTENBPPW-UHFFFAOYSA-N 1 2 351.475 4.050 20 30 FIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccn1 ZINC000124042270 1102640780 /nfs/dbraw/zinc/64/07/80/1102640780.db2.gz UWTWXOUKEMFTSQ-HXOBKFHXSA-N 1 2 373.456 4.260 20 30 FIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000506863118 1102925387 /nfs/dbraw/zinc/92/53/87/1102925387.db2.gz CJPLGKSZIQPWCD-UHFFFAOYSA-N 1 2 354.369 4.251 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1csc(Br)c1 ZINC000130430678 1103019748 /nfs/dbraw/zinc/01/97/48/1103019748.db2.gz FPXOMCIITZDIFA-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000130430678 1103019766 /nfs/dbraw/zinc/01/97/66/1103019766.db2.gz FPXOMCIITZDIFA-UHFFFAOYSA-N 1 2 351.269 4.023 20 30 FIEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccccc1OCc1ccncc1 ZINC000730146162 1103113995 /nfs/dbraw/zinc/11/39/95/1103113995.db2.gz IYPGRRMYFAXXBO-UHFFFAOYSA-N 1 2 354.413 4.077 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000328776958 1104557015 /nfs/dbraw/zinc/55/70/15/1104557015.db2.gz IHRHQDHNTUJAQO-SBHAEUEKSA-N 1 2 369.509 4.315 20 30 FIEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000328776958 1104557025 /nfs/dbraw/zinc/55/70/25/1104557025.db2.gz IHRHQDHNTUJAQO-SBHAEUEKSA-N 1 2 369.509 4.315 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000441435873 1104656037 /nfs/dbraw/zinc/65/60/37/1104656037.db2.gz DBPBLQMKVMLBHI-OAQYLSRUSA-N 1 2 355.432 4.105 20 30 FIEDLO C=CCC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189612953 1104824256 /nfs/dbraw/zinc/82/42/56/1104824256.db2.gz IETZAVPFTPAMIG-UGKGYDQZSA-N 1 2 363.505 4.037 20 30 FIEDLO CC1(C)CCCc2cc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)nc21 ZINC000428099989 1105368088 /nfs/dbraw/zinc/36/80/88/1105368088.db2.gz DZSUUSASBXPYKP-UHFFFAOYSA-N 1 2 361.493 4.174 20 30 FIEDLO CC(C)c1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000475405312 1106829442 /nfs/dbraw/zinc/82/94/42/1106829442.db2.gz UOKKUYVRHABJGU-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO CC(C)c1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000475405312 1106829453 /nfs/dbraw/zinc/82/94/53/1106829453.db2.gz UOKKUYVRHABJGU-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000530733252 1107279607 /nfs/dbraw/zinc/27/96/07/1107279607.db2.gz XITUEVAHUIEKPA-LJQANCHMSA-N 1 2 362.408 4.475 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000530733252 1107279619 /nfs/dbraw/zinc/27/96/19/1107279619.db2.gz XITUEVAHUIEKPA-LJQANCHMSA-N 1 2 362.408 4.475 20 30 FIEDLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000524178470 1108888363 /nfs/dbraw/zinc/88/83/63/1108888363.db2.gz KBCXPZFRHGNQAI-OAHLLOKOSA-N 1 2 371.506 4.092 20 30 FIEDLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000524178470 1108888368 /nfs/dbraw/zinc/88/83/68/1108888368.db2.gz KBCXPZFRHGNQAI-OAHLLOKOSA-N 1 2 371.506 4.092 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000527481735 1109764607 /nfs/dbraw/zinc/76/46/07/1109764607.db2.gz OAYAUGOERSSMJM-CYBMUJFWSA-N 1 2 361.276 4.143 20 30 FIEDLO C[C@@H](c1nnc(SCCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023223595 1109907567 /nfs/dbraw/zinc/90/75/67/1109907567.db2.gz REAQWDCGOAHQSA-INIZCTEOSA-N 1 2 355.511 4.210 20 30 FIEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000529644390 1110298934 /nfs/dbraw/zinc/29/89/34/1110298934.db2.gz YOOCCWGTTMMLTC-UHFFFAOYSA-N 1 2 364.493 4.015 20 30 FIEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000529644390 1110298937 /nfs/dbraw/zinc/29/89/37/1110298937.db2.gz YOOCCWGTTMMLTC-UHFFFAOYSA-N 1 2 364.493 4.015 20 30 FIEDLO Cc1ccc(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)cn1 ZINC000553878970 1112113609 /nfs/dbraw/zinc/11/36/09/1112113609.db2.gz LHXMGARKBDCQFR-UHFFFAOYSA-N 1 2 370.294 4.404 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479812850 1112149154 /nfs/dbraw/zinc/14/91/54/1112149154.db2.gz PPWVDOPCXJCMBY-RTBURBONSA-N 1 2 365.468 4.098 20 30 FIEDLO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479812850 1112149156 /nfs/dbraw/zinc/14/91/56/1112149156.db2.gz PPWVDOPCXJCMBY-RTBURBONSA-N 1 2 365.468 4.098 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311025 1112297053 /nfs/dbraw/zinc/29/70/53/1112297053.db2.gz QRKSRFMMGURYNF-LPHOPBHVSA-N 1 2 367.518 4.466 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311025 1112297055 /nfs/dbraw/zinc/29/70/55/1112297055.db2.gz QRKSRFMMGURYNF-LPHOPBHVSA-N 1 2 367.518 4.466 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1OCCc2ccccc21 ZINC000480706663 1112555967 /nfs/dbraw/zinc/55/59/67/1112555967.db2.gz TXCLKGWCUOMRPF-IBGZPJMESA-N 1 2 371.278 4.067 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1OCCc2ccccc21 ZINC000480706663 1112555974 /nfs/dbraw/zinc/55/59/74/1112555974.db2.gz TXCLKGWCUOMRPF-IBGZPJMESA-N 1 2 371.278 4.067 20 30 FIEDLO N#CC1(C[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CCC1 ZINC000600165950 1112914892 /nfs/dbraw/zinc/91/48/92/1112914892.db2.gz ZFVZLFCGCHJMNA-UHFFFAOYSA-N 1 2 350.397 4.049 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483060175 1113431415 /nfs/dbraw/zinc/43/14/15/1113431415.db2.gz VDXRSEKEIULCOZ-BIENJYKASA-N 1 2 365.502 4.128 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483060175 1113431419 /nfs/dbraw/zinc/43/14/19/1113431419.db2.gz VDXRSEKEIULCOZ-BIENJYKASA-N 1 2 365.502 4.128 20 30 FIEDLO C=CC[N@H+](Cc1ccsc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483270134 1113476990 /nfs/dbraw/zinc/47/69/90/1113476990.db2.gz JWJYMFLJWOVMGI-CYBMUJFWSA-N 1 2 359.886 4.126 20 30 FIEDLO C=CC[N@@H+](Cc1ccsc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483270134 1113476992 /nfs/dbraw/zinc/47/69/92/1113476992.db2.gz JWJYMFLJWOVMGI-CYBMUJFWSA-N 1 2 359.886 4.126 20 30 FIEDLO C=CCSc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000486121962 1113509892 /nfs/dbraw/zinc/50/98/92/1113509892.db2.gz CQOCIFMHMUOSQZ-UHFFFAOYSA-N 1 2 368.502 4.049 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000489493783 1114122588 /nfs/dbraw/zinc/12/25/88/1114122588.db2.gz SZZCMMUXKHRNHM-KRWDZBQOSA-N 1 2 354.498 4.071 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000489493783 1114122591 /nfs/dbraw/zinc/12/25/91/1114122591.db2.gz SZZCMMUXKHRNHM-KRWDZBQOSA-N 1 2 354.498 4.071 20 30 FIEDLO C=CC[N@@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccc(OC)cc1 ZINC000489658597 1114151462 /nfs/dbraw/zinc/15/14/62/1114151462.db2.gz KQVIVIHTEBCVGX-UHFFFAOYSA-N 1 2 353.441 4.392 20 30 FIEDLO C=CC[N@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccc(OC)cc1 ZINC000489658597 1114151465 /nfs/dbraw/zinc/15/14/65/1114151465.db2.gz KQVIVIHTEBCVGX-UHFFFAOYSA-N 1 2 353.441 4.392 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000029593660 1114333033 /nfs/dbraw/zinc/33/30/33/1114333033.db2.gz WSXQOEQUEWIHIU-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO Cc1cc(N2Cc3ccccc3C2)c(C#N)c(N2Cc3ccccc3C2)[nH+]1 ZINC000590577155 1114949968 /nfs/dbraw/zinc/94/99/68/1114949968.db2.gz BEDPENGAURPPBL-UHFFFAOYSA-N 1 2 352.441 4.302 20 30 FIEDLO C=CCOc1cc(OC)ccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000573724655 1115178102 /nfs/dbraw/zinc/17/81/02/1115178102.db2.gz IJMJSTQPHAYRRC-UHFFFAOYSA-N 1 2 374.400 4.163 20 30 FIEDLO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000593076860 1115299869 /nfs/dbraw/zinc/29/98/69/1115299869.db2.gz MENGIVSQFXSXSQ-ACJLOTCBSA-N 1 2 370.884 4.173 20 30 FIEDLO C[N@@H+]1CC[C@H](N[C@@H](C#N)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595477420 1115538611 /nfs/dbraw/zinc/53/86/11/1115538611.db2.gz SPFZMSYHEQGLFC-FHWLQOOXSA-N 1 2 361.823 4.218 20 30 FIEDLO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595477420 1115538613 /nfs/dbraw/zinc/53/86/13/1115538613.db2.gz SPFZMSYHEQGLFC-FHWLQOOXSA-N 1 2 361.823 4.218 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610947 1115553113 /nfs/dbraw/zinc/55/31/13/1115553113.db2.gz DPIOAXQDGLAYFQ-VXGBXAGGSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610947 1115553116 /nfs/dbraw/zinc/55/31/16/1115553116.db2.gz DPIOAXQDGLAYFQ-VXGBXAGGSA-N 1 2 373.806 4.311 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000595613798 1115553715 /nfs/dbraw/zinc/55/37/15/1115553715.db2.gz HWDBCLHXMZHFHC-LLVKDONJSA-N 1 2 351.237 4.169 20 30 FIEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000595613798 1115553718 /nfs/dbraw/zinc/55/37/18/1115553718.db2.gz HWDBCLHXMZHFHC-LLVKDONJSA-N 1 2 351.237 4.169 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616144 1115553823 /nfs/dbraw/zinc/55/38/23/1115553823.db2.gz QMCHXYACBISOHJ-MSOLQXFVSA-N 1 2 363.461 4.432 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616144 1115553826 /nfs/dbraw/zinc/55/38/26/1115553826.db2.gz QMCHXYACBISOHJ-MSOLQXFVSA-N 1 2 363.461 4.432 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612011 1115553874 /nfs/dbraw/zinc/55/38/74/1115553874.db2.gz RIZUTEFNVUKFNG-OXQOHEQNSA-N 1 2 351.425 4.131 20 30 FIEDLO N#CC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612011 1115553876 /nfs/dbraw/zinc/55/38/76/1115553876.db2.gz RIZUTEFNVUKFNG-OXQOHEQNSA-N 1 2 351.425 4.131 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612012 1115553993 /nfs/dbraw/zinc/55/39/93/1115553993.db2.gz RIZUTEFNVUKFNG-UZLBHIALSA-N 1 2 351.425 4.131 20 30 FIEDLO N#CC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000595612012 1115553997 /nfs/dbraw/zinc/55/39/97/1115553997.db2.gz RIZUTEFNVUKFNG-UZLBHIALSA-N 1 2 351.425 4.131 20 30 FIEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F ZINC000595686282 1115556221 /nfs/dbraw/zinc/55/62/21/1115556221.db2.gz VIZHAIICAACLLP-LJQANCHMSA-N 1 2 350.397 4.234 20 30 FIEDLO C=CCCSCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000596809274 1115614825 /nfs/dbraw/zinc/61/48/25/1115614825.db2.gz ISTSMNSXIGPYNN-UHFFFAOYSA-N 1 2 368.506 4.033 20 30 FIEDLO Cc1cc2c[nH+]c(NC3=C(c4ccccc4)C(=O)c4ccccc43)nc2[nH]1 ZINC001168410449 1115629519 /nfs/dbraw/zinc/62/95/19/1115629519.db2.gz HSYGNQCJVWJTQJ-UHFFFAOYSA-N 1 2 352.397 4.395 20 30 FIEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc(F)cc1 ZINC000597231691 1115650045 /nfs/dbraw/zinc/65/00/45/1115650045.db2.gz ZYTQHXQZHMTIKQ-NRFANRHFSA-N 1 2 354.425 4.149 20 30 FIEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc(F)cc1 ZINC000597231691 1115650046 /nfs/dbraw/zinc/65/00/46/1115650046.db2.gz ZYTQHXQZHMTIKQ-NRFANRHFSA-N 1 2 354.425 4.149 20 30 FIEDLO N#CC1(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCCCC1 ZINC000597699602 1115681568 /nfs/dbraw/zinc/68/15/68/1115681568.db2.gz KOBLLFAUSGOKJY-UHFFFAOYSA-N 1 2 356.857 4.006 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685262 1115838084 /nfs/dbraw/zinc/83/80/84/1115838084.db2.gz CNFVWIVEFZJVII-KRWDZBQOSA-N 1 2 361.489 4.261 20 30 FIEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685262 1115838086 /nfs/dbraw/zinc/83/80/86/1115838086.db2.gz CNFVWIVEFZJVII-KRWDZBQOSA-N 1 2 361.489 4.261 20 30 FIEDLO N#Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cn2ccccc12 ZINC000606451062 1115945374 /nfs/dbraw/zinc/94/53/74/1115945374.db2.gz ITIHGUVZWMKOTN-QGZVFWFLSA-N 1 2 361.420 4.045 20 30 FIEDLO N#Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cn2ccccc12 ZINC000606451062 1115945375 /nfs/dbraw/zinc/94/53/75/1115945375.db2.gz ITIHGUVZWMKOTN-QGZVFWFLSA-N 1 2 361.420 4.045 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1cccc(C)c1 ZINC000534519650 1116209056 /nfs/dbraw/zinc/20/90/56/1116209056.db2.gz ZOCVDJMYDSSBEB-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535265061 1116288323 /nfs/dbraw/zinc/28/83/23/1116288323.db2.gz QBHOERSUARFKKP-FQEVSTJZSA-N 1 2 369.534 4.283 20 30 FIEDLO CC#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000462355770 1116337789 /nfs/dbraw/zinc/33/77/89/1116337789.db2.gz ZKYHKZAMAMRRDR-UHFFFAOYSA-N 1 2 360.914 4.022 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3nc4ccc(Br)cc4o3)CC2)c1 ZINC000463151033 1117993060 /nfs/dbraw/zinc/99/30/60/1117993060.db2.gz HIEJPVCBDAKRNP-UHFFFAOYSA-N 1 2 368.234 4.241 20 30 FIEDLO N#Cc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1Cl ZINC000541599274 1118574642 /nfs/dbraw/zinc/57/46/42/1118574642.db2.gz OKTOMAUYKONSOW-UHFFFAOYSA-N 1 2 374.831 4.379 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000491342090 1118919668 /nfs/dbraw/zinc/91/96/68/1118919668.db2.gz HHSSPRVSOQUZCO-UHFFFAOYSA-N 1 2 367.449 4.089 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000491342090 1118919670 /nfs/dbraw/zinc/91/96/70/1118919670.db2.gz HHSSPRVSOQUZCO-UHFFFAOYSA-N 1 2 367.449 4.089 20 30 FIEDLO N#Cc1ccc(Br)c(COc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000492560925 1119129860 /nfs/dbraw/zinc/12/98/60/1119129860.db2.gz PFWSXUOXYNUDHN-UHFFFAOYSA-N 1 2 354.207 4.085 20 30 FIEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000183758646 1119582115 /nfs/dbraw/zinc/58/21/15/1119582115.db2.gz ORUZTLLLQSNEBO-INIZCTEOSA-N 1 2 371.506 4.224 20 30 FIEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000494691684 1120036112 /nfs/dbraw/zinc/03/61/12/1120036112.db2.gz VEYCKGQLMMPMDF-UHFFFAOYSA-N 1 2 356.278 4.173 20 30 FIEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000494691684 1120036119 /nfs/dbraw/zinc/03/61/19/1120036119.db2.gz VEYCKGQLMMPMDF-UHFFFAOYSA-N 1 2 356.278 4.173 20 30 FIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C ZINC000194730945 1120299070 /nfs/dbraw/zinc/29/90/70/1120299070.db2.gz JQTZYSYGDMNLCR-UHFFFAOYSA-N 1 2 366.465 4.172 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000915203741 1120868361 /nfs/dbraw/zinc/86/83/61/1120868361.db2.gz YMHBEMFEBMUHRW-UHFFFAOYSA-N 1 2 373.250 4.003 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000915203741 1120868368 /nfs/dbraw/zinc/86/83/68/1120868368.db2.gz YMHBEMFEBMUHRW-UHFFFAOYSA-N 1 2 373.250 4.003 20 30 FIEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccccc1F ZINC000762467017 1120914126 /nfs/dbraw/zinc/91/41/26/1120914126.db2.gz ACGACQSGYSEXNF-UHFFFAOYSA-N 1 2 369.469 4.024 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763330142 1121333703 /nfs/dbraw/zinc/33/37/03/1121333703.db2.gz BYIMDGSBOZCGDR-HNNXBMFYSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763330142 1121333712 /nfs/dbraw/zinc/33/37/12/1121333712.db2.gz BYIMDGSBOZCGDR-HNNXBMFYSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332354 1121335340 /nfs/dbraw/zinc/33/53/40/1121335340.db2.gz LBEGDOZCDZHLTN-SFHVURJKSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332354 1121335348 /nfs/dbraw/zinc/33/53/48/1121335348.db2.gz LBEGDOZCDZHLTN-SFHVURJKSA-N 1 2 354.523 4.265 20 30 FIEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1ccc(F)cc1 ZINC000916268332 1121459450 /nfs/dbraw/zinc/45/94/50/1121459450.db2.gz ZIGWSNBTQONFAX-UHFFFAOYSA-N 1 2 363.440 4.366 20 30 FIEDLO CCCN(CCC)c1ccc(C=[NH+]N2C(=S)N=NC2C(C)(C)C)cc1 ZINC000916308910 1121470109 /nfs/dbraw/zinc/47/01/09/1121470109.db2.gz YZZOXWOORXOUIF-UHFFFAOYSA-N 1 2 359.543 4.373 20 30 FIEDLO Cc1ccc2[nH+]cc(/C=C3/CCc4ncc(C(F)(F)F)cc4C3=O)n2c1 ZINC000154077744 1121552303 /nfs/dbraw/zinc/55/23/03/1121552303.db2.gz UUPYMODUJMNVJS-SDQBBNPISA-N 1 2 357.335 4.269 20 30 FIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918034496 1122531411 /nfs/dbraw/zinc/53/14/11/1122531411.db2.gz RFQHJAZIADLOHZ-NRFANRHFSA-N 1 2 373.460 4.140 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3coc(-c4c(F)cccc4F)n3)CC2)c1 ZINC000556512210 1122936564 /nfs/dbraw/zinc/93/65/64/1122936564.db2.gz LNJFCOOZCWVTQP-UHFFFAOYSA-N 1 2 351.356 4.270 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000499052623 1123174768 /nfs/dbraw/zinc/17/47/68/1123174768.db2.gz JNIZCZNAPPVCNF-CYBMUJFWSA-N 1 2 364.898 4.425 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000499052623 1123174773 /nfs/dbraw/zinc/17/47/73/1123174773.db2.gz JNIZCZNAPPVCNF-CYBMUJFWSA-N 1 2 364.898 4.425 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000195207711 1123301061 /nfs/dbraw/zinc/30/10/61/1123301061.db2.gz WBATWBRCKYEELQ-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000195207711 1123301065 /nfs/dbraw/zinc/30/10/65/1123301065.db2.gz WBATWBRCKYEELQ-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1cccc(C#N)c1 ZINC000075674285 1123507521 /nfs/dbraw/zinc/50/75/21/1123507521.db2.gz HJZLPXJIFAJJBX-UHFFFAOYSA-N 1 2 353.491 4.172 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1cccc(C#N)c1 ZINC000075674285 1123507524 /nfs/dbraw/zinc/50/75/24/1123507524.db2.gz HJZLPXJIFAJJBX-UHFFFAOYSA-N 1 2 353.491 4.172 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609555998 1123755558 /nfs/dbraw/zinc/75/55/58/1123755558.db2.gz QWURVTZMAQBKFF-HZPDHXFCSA-N 1 2 369.494 4.146 20 30 FIEDLO Cc1ccc([C@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000609894696 1123882161 /nfs/dbraw/zinc/88/21/61/1123882161.db2.gz DQEYOSWBASVTOK-FQEVSTJZSA-N 1 2 355.869 4.006 20 30 FIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)cc1 ZINC000609987791 1123907869 /nfs/dbraw/zinc/90/78/69/1123907869.db2.gz CDLQEPOIHPSLEW-UHFFFAOYSA-N 1 2 371.444 4.045 20 30 FIEDLO CC(C)[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000075674608 1124913355 /nfs/dbraw/zinc/91/33/55/1124913355.db2.gz AJSJCDVYZCLFSQ-UHFFFAOYSA-N 1 2 360.461 4.137 20 30 FIEDLO CC(C)[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000075674608 1124913357 /nfs/dbraw/zinc/91/33/57/1124913357.db2.gz AJSJCDVYZCLFSQ-UHFFFAOYSA-N 1 2 360.461 4.137 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000076912135 1125061441 /nfs/dbraw/zinc/06/14/41/1125061441.db2.gz JCURESUCIHPMSJ-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000076912135 1125061448 /nfs/dbraw/zinc/06/14/48/1125061448.db2.gz JCURESUCIHPMSJ-AWEZNQCLSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181759433 1125131003 /nfs/dbraw/zinc/13/10/03/1125131003.db2.gz DTFPOSNVSVOVNG-WDEREUQCSA-N 1 2 363.820 4.238 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022815 1125441089 /nfs/dbraw/zinc/44/10/89/1125441089.db2.gz HQKWQCYXNOOYDY-PKOBYXMFSA-N 1 2 366.427 4.124 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022815 1125441090 /nfs/dbraw/zinc/44/10/90/1125441090.db2.gz HQKWQCYXNOOYDY-PKOBYXMFSA-N 1 2 366.427 4.124 20 30 FIEDLO C=C(C)[C@@H]([NH2+]Cc1cnc(C(=O)OCC)s1)c1ccc(F)c(F)c1 ZINC000602817365 568044008 /nfs/dbraw/zinc/04/40/08/568044008.db2.gz JUGAPJBXUIPDBZ-OAHLLOKOSA-N 1 2 352.406 4.005 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000481800080 568127289 /nfs/dbraw/zinc/12/72/89/568127289.db2.gz YSAUSBISBIUWLN-UHFFFAOYSA-N 1 2 369.852 4.149 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000481800080 568127290 /nfs/dbraw/zinc/12/72/90/568127290.db2.gz YSAUSBISBIUWLN-UHFFFAOYSA-N 1 2 369.852 4.149 20 30 FIEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4c(C#N)nnc5ccccc54)C3)[nH+]c2c1 ZINC000541989769 568320219 /nfs/dbraw/zinc/32/02/19/568320219.db2.gz VRKVCBUQGPZPFN-OAHLLOKOSA-N 1 2 368.444 4.070 20 30 FIEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4c(F)cc(C#N)cc4F)C3)[nH+]c2c1 ZINC000570014807 568440699 /nfs/dbraw/zinc/44/06/99/568440699.db2.gz JTLOTZJJMZUGBQ-AWEZNQCLSA-N 1 2 352.388 4.405 20 30 FIEDLO CCN(CCC#N)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000465054524 721987643 /nfs/dbraw/zinc/98/76/43/721987643.db2.gz ZTDHWBDWABXSBX-UHFFFAOYSA-N 1 2 365.506 4.160 20 30 FIEDLO Cc1cc([C@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CCO2)ccc1F ZINC000093637480 1125458732 /nfs/dbraw/zinc/45/87/32/1125458732.db2.gz VFOZMFSXXWFTRY-JOCHJYFZSA-N 1 2 368.452 4.390 20 30 FIEDLO Cc1cc([C@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CCO2)ccc1F ZINC000093637480 1125458821 /nfs/dbraw/zinc/45/88/21/1125458821.db2.gz VFOZMFSXXWFTRY-JOCHJYFZSA-N 1 2 368.452 4.390 20 30 FIEDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nnn1-c1ccc(C)cc1 ZINC000619754790 1125680865 /nfs/dbraw/zinc/68/08/65/1125680865.db2.gz KSGOYBMCONLOSE-CQSZACIVSA-N 1 2 365.868 4.260 20 30 FIEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CCCC2)cc1 ZINC001125301068 1080118211 /nfs/dbraw/zinc/11/82/11/1080118211.db2.gz JRTXWADOCMETKT-UHFFFAOYSA-N 1 2 374.419 4.334 20 30 FIEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ncc(Br)cc1F ZINC000275160690 1080579885 /nfs/dbraw/zinc/57/98/85/1080579885.db2.gz AQZOGBIHGJDNRZ-NSHDSACASA-N 1 2 360.230 4.195 20 30 FIEDLO COc1cccc(C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]2CCCO2)c1 ZINC001167187401 1080811460 /nfs/dbraw/zinc/81/14/60/1080811460.db2.gz QDJUYEBNQHIPJV-OAQYLSRUSA-N 1 2 370.880 4.401 20 30 FIEDLO COc1cccc(C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]2CCCO2)c1 ZINC001167187401 1080811467 /nfs/dbraw/zinc/81/14/67/1080811467.db2.gz QDJUYEBNQHIPJV-OAQYLSRUSA-N 1 2 370.880 4.401 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000374321550 1081360548 /nfs/dbraw/zinc/36/05/48/1081360548.db2.gz BGYGVJNCWBYPTD-UHFFFAOYSA-N 1 2 362.864 4.341 20 30 FIEDLO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1F ZINC000610390247 1081713519 /nfs/dbraw/zinc/71/35/19/1081713519.db2.gz AITACSDMDZKCPH-UHFFFAOYSA-N 1 2 371.481 4.292 20 30 FIEDLO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1F ZINC000610390247 1081713524 /nfs/dbraw/zinc/71/35/24/1081713524.db2.gz AITACSDMDZKCPH-UHFFFAOYSA-N 1 2 371.481 4.292 20 30 FIEDLO Cc1cccc(C[NH+](CCOc2ccc(C#N)cc2)Cc2cccc(C)n2)n1 ZINC000083595406 1081946385 /nfs/dbraw/zinc/94/63/85/1081946385.db2.gz OJLAVABJMIYPRV-UHFFFAOYSA-N 1 2 372.472 4.046 20 30 FIEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000581099391 1082311979 /nfs/dbraw/zinc/31/19/79/1082311979.db2.gz DXAQNYNETIPABE-UHFFFAOYSA-N 1 2 354.401 4.016 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001167457633 1082518628 /nfs/dbraw/zinc/51/86/28/1082518628.db2.gz GVMKVOONROGZEW-HNNXBMFYSA-N 1 2 374.937 4.363 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001167457633 1082518631 /nfs/dbraw/zinc/51/86/31/1082518631.db2.gz GVMKVOONROGZEW-HNNXBMFYSA-N 1 2 374.937 4.363 20 30 FIEDLO Cc1cccc(C[NH+](Cc2ccc(CC#N)cc2)Cc2cccc(C)n2)n1 ZINC000581512091 1082629810 /nfs/dbraw/zinc/62/98/10/1082629810.db2.gz NSJALLPNNGOWRP-UHFFFAOYSA-N 1 2 356.473 4.362 20 30 FIEDLO C=CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccccc1 ZINC000605445317 1082718396 /nfs/dbraw/zinc/71/83/96/1082718396.db2.gz TWJGOLBMMWWXAS-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000051317318 1083086311 /nfs/dbraw/zinc/08/63/11/1083086311.db2.gz KZCWOADTEZPKEK-UHFFFAOYSA-N 1 2 371.462 4.034 20 30 FIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000051317318 1083086313 /nfs/dbraw/zinc/08/63/13/1083086313.db2.gz KZCWOADTEZPKEK-UHFFFAOYSA-N 1 2 371.462 4.034 20 30 FIEDLO Cn1cc(C[N@H+](Cc2ccc(C#N)s2)Cc2ccc(Cl)cc2)cn1 ZINC000430772499 1083164839 /nfs/dbraw/zinc/16/48/39/1083164839.db2.gz BVZLFTKGKQEHTG-UHFFFAOYSA-N 1 2 356.882 4.209 20 30 FIEDLO Cn1cc(C[N@@H+](Cc2ccc(C#N)s2)Cc2ccc(Cl)cc2)cn1 ZINC000430772499 1083164842 /nfs/dbraw/zinc/16/48/42/1083164842.db2.gz BVZLFTKGKQEHTG-UHFFFAOYSA-N 1 2 356.882 4.209 20 30 FIEDLO Cc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ccc1F ZINC000178340261 1083216158 /nfs/dbraw/zinc/21/61/58/1083216158.db2.gz ATDIYAKMJQHFQM-UHFFFAOYSA-N 1 2 362.408 4.220 20 30 FIEDLO Cc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)ccc1F ZINC000178340261 1083216161 /nfs/dbraw/zinc/21/61/61/1083216161.db2.gz ATDIYAKMJQHFQM-UHFFFAOYSA-N 1 2 362.408 4.220 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000548486216 1083475364 /nfs/dbraw/zinc/47/53/64/1083475364.db2.gz NAJKWEQDSTYENC-MRXNPFEDSA-N 1 2 354.759 4.054 20 30 FIEDLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000065839819 1083657154 /nfs/dbraw/zinc/65/71/54/1083657154.db2.gz TZSQHPMWAGDJKF-QGZVFWFLSA-N 1 2 358.445 4.026 20 30 FIEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000612405728 1083779451 /nfs/dbraw/zinc/77/94/51/1083779451.db2.gz CJKXWDVTRQNBHN-QFIPXVFZSA-N 1 2 350.462 4.400 20 30 FIEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCc1ccccc1 ZINC000612405728 1083779462 /nfs/dbraw/zinc/77/94/62/1083779462.db2.gz CJKXWDVTRQNBHN-QFIPXVFZSA-N 1 2 350.462 4.400 20 30 FIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848756 1083804220 /nfs/dbraw/zinc/80/42/20/1083804220.db2.gz VMJANHZBCXATNL-KKSFZXQISA-N 1 2 368.550 4.056 20 30 FIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848756 1083804228 /nfs/dbraw/zinc/80/42/28/1083804228.db2.gz VMJANHZBCXATNL-KKSFZXQISA-N 1 2 368.550 4.056 20 30 FIEDLO COc1cccc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2ccccc2Cl)c1 ZINC000610956891 1083881810 /nfs/dbraw/zinc/88/18/10/1083881810.db2.gz WAWNDSIDGMHONG-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO CC(=[NH+]Nc1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000728432878 1084087586 /nfs/dbraw/zinc/08/75/86/1084087586.db2.gz GOKULZVMITWBTR-UHFFFAOYSA-N 1 2 350.235 4.490 20 30 FIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1F ZINC000539765471 1084660494 /nfs/dbraw/zinc/66/04/94/1084660494.db2.gz HQTYBOTVATUCAH-GOSISDBHSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1F ZINC000539765471 1084660497 /nfs/dbraw/zinc/66/04/97/1084660497.db2.gz HQTYBOTVATUCAH-GOSISDBHSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc2ncc(C[NH2+]C3(c4c(Cl)cccc4Cl)CC3)n2c1 ZINC000551803724 1084722250 /nfs/dbraw/zinc/72/22/50/1084722250.db2.gz BIQFWGNBECEWAT-UHFFFAOYSA-N 1 2 357.244 4.292 20 30 FIEDLO CC(C)(C)c1ccc(C#N)c(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000613428923 1084725608 /nfs/dbraw/zinc/72/56/08/1084725608.db2.gz AALDPZPPEUAGGG-UHFFFAOYSA-N 1 2 351.498 4.144 20 30 FIEDLO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000540467657 1084815977 /nfs/dbraw/zinc/81/59/77/1084815977.db2.gz GMSJJXRRSCTZJY-FQEVSTJZSA-N 1 2 354.425 4.178 20 30 FIEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000595615891 1085687388 /nfs/dbraw/zinc/68/73/88/1085687388.db2.gz ULUDAPNMTIYTMN-LLVKDONJSA-N 1 2 351.237 4.169 20 30 FIEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000595615891 1085687390 /nfs/dbraw/zinc/68/73/90/1085687390.db2.gz ULUDAPNMTIYTMN-LLVKDONJSA-N 1 2 351.237 4.169 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872534 1086238969 /nfs/dbraw/zinc/23/89/69/1086238969.db2.gz FIIWWQXGNXSBDA-ICSRJNTNSA-N 1 2 360.486 4.477 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000093872534 1086238982 /nfs/dbraw/zinc/23/89/82/1086238982.db2.gz FIIWWQXGNXSBDA-ICSRJNTNSA-N 1 2 360.486 4.477 20 30 FIEDLO N#CCc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000536154916 1087014987 /nfs/dbraw/zinc/01/49/87/1087014987.db2.gz JVAMHCWFLZEDEG-UHFFFAOYSA-N 1 2 356.429 4.205 20 30 FIEDLO N#Cc1c(Br)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584085845 1087165867 /nfs/dbraw/zinc/16/58/67/1087165867.db2.gz BTWCYWNTOMYMEK-UHFFFAOYSA-N 1 2 373.298 4.214 20 30 FIEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000584187524 1087210653 /nfs/dbraw/zinc/21/06/53/1087210653.db2.gz MYYIHHHKVZFSPU-UHFFFAOYSA-N 1 2 352.825 4.287 20 30 FIEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000302816346 1087564850 /nfs/dbraw/zinc/56/48/50/1087564850.db2.gz VVPPEGYOHQCUHY-MRXNPFEDSA-N 1 2 371.531 4.161 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000472337473 1087599622 /nfs/dbraw/zinc/59/96/22/1087599622.db2.gz PQZIJRJKZZLWSB-RBZFPXEDSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000472337473 1087599624 /nfs/dbraw/zinc/59/96/24/1087599624.db2.gz PQZIJRJKZZLWSB-RBZFPXEDSA-N 1 2 371.843 4.372 20 30 FIEDLO N#Cc1c(Br)cccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000472349488 1087678001 /nfs/dbraw/zinc/67/80/01/1087678001.db2.gz OJHUBNCRXFAZQO-UHFFFAOYSA-N 1 2 371.213 4.258 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000548858125 1087703366 /nfs/dbraw/zinc/70/33/66/1087703366.db2.gz LBBHGXIXZIBBLN-UHFFFAOYSA-N 1 2 351.397 4.219 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505017757 1088052927 /nfs/dbraw/zinc/05/29/27/1088052927.db2.gz YYLOFGUUEMUGRY-UHFFFAOYSA-N 1 2 360.461 4.372 20 30 FIEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1-n1cc[nH+]c1 ZINC000189752516 1088620528 /nfs/dbraw/zinc/62/05/28/1088620528.db2.gz DJMFPSYMZBDFAR-UHFFFAOYSA-N 1 2 361.355 4.182 20 30 FIEDLO Cc1cc(N)nc(SCCC(C#N)(c2ccccc2)c2ccccc2)[nH+]1 ZINC000434642805 1088901913 /nfs/dbraw/zinc/90/19/13/1088901913.db2.gz MJESGMCDJYAWGH-UHFFFAOYSA-N 1 2 360.486 4.190 20 30 FIEDLO C=CCC(C)(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000432009710 1091545644 /nfs/dbraw/zinc/54/56/44/1091545644.db2.gz YBHNSCSHAQFESS-MRXNPFEDSA-N 1 2 352.881 4.335 20 30 FIEDLO N#Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1F ZINC000512450334 1092371462 /nfs/dbraw/zinc/37/14/62/1092371462.db2.gz RHPUUGOKILRMON-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO N#Cc1cccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1F ZINC000512450334 1092371475 /nfs/dbraw/zinc/37/14/75/1092371475.db2.gz RHPUUGOKILRMON-UHFFFAOYSA-N 1 2 357.860 4.059 20 30 FIEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000187439688 1092525289 /nfs/dbraw/zinc/52/52/89/1092525289.db2.gz GFAGZQQTXSOLHW-WMQCIHAUSA-N 1 2 370.443 4.186 20 30 FIEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000187439688 1092525303 /nfs/dbraw/zinc/52/53/03/1092525303.db2.gz GFAGZQQTXSOLHW-WMQCIHAUSA-N 1 2 370.443 4.186 20 30 FIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000512506012 1092597214 /nfs/dbraw/zinc/59/72/14/1092597214.db2.gz GADBYRORUPQFFO-UHFFFAOYSA-N 1 2 363.509 4.287 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(Br)c1 ZINC000512507294 1092598780 /nfs/dbraw/zinc/59/87/80/1092598780.db2.gz XNHXRFAFMKNRIO-UHFFFAOYSA-N 1 2 363.303 4.200 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(Br)c1 ZINC000512507294 1092598796 /nfs/dbraw/zinc/59/87/96/1092598796.db2.gz XNHXRFAFMKNRIO-UHFFFAOYSA-N 1 2 363.303 4.200 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000512521260 1092628699 /nfs/dbraw/zinc/62/86/99/1092628699.db2.gz BVLCSEVGCHNDFK-IBGZPJMESA-N 1 2 368.525 4.284 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000512521260 1092628707 /nfs/dbraw/zinc/62/87/07/1092628707.db2.gz BVLCSEVGCHNDFK-IBGZPJMESA-N 1 2 368.525 4.284 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433036209 1093146193 /nfs/dbraw/zinc/14/61/93/1093146193.db2.gz SHURNZKAVKLDDM-HXUWFJFHSA-N 1 2 360.461 4.494 20 30 FIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000509774502 1093185252 /nfs/dbraw/zinc/18/52/52/1093185252.db2.gz SDXWUGWAWWLUMX-INIZCTEOSA-N 1 2 350.491 4.251 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000509774502 1093185259 /nfs/dbraw/zinc/18/52/59/1093185259.db2.gz SDXWUGWAWWLUMX-INIZCTEOSA-N 1 2 350.491 4.251 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000411483196 1093336426 /nfs/dbraw/zinc/33/64/26/1093336426.db2.gz DTUXGUVLUZRVHU-HNNXBMFYSA-N 1 2 355.413 4.184 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000411483196 1093336436 /nfs/dbraw/zinc/33/64/36/1093336436.db2.gz DTUXGUVLUZRVHU-HNNXBMFYSA-N 1 2 355.413 4.184 20 30 FIEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1C1CC1 ZINC000191541168 1093454491 /nfs/dbraw/zinc/45/44/91/1093454491.db2.gz PXJRWYSEHKLIAD-UHFFFAOYSA-N 1 2 351.479 4.128 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327964 1093588975 /nfs/dbraw/zinc/58/89/75/1093588975.db2.gz USEPQLWWDXAOHP-BBRMVZONSA-N 1 2 371.868 4.238 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327964 1093588980 /nfs/dbraw/zinc/58/89/80/1093588980.db2.gz USEPQLWWDXAOHP-BBRMVZONSA-N 1 2 371.868 4.238 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000513716415 1094750062 /nfs/dbraw/zinc/75/00/62/1094750062.db2.gz BJYLZAXOJXMZIM-UHFFFAOYSA-N 1 2 361.367 4.015 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501534133 1094762232 /nfs/dbraw/zinc/76/22/32/1094762232.db2.gz TYPJPTHHVKECRL-MRXNPFEDSA-N 1 2 361.214 4.073 20 30 FIEDLO [O-]C(=[NH+]CC1(Cc2ccccc2)CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329271240 1094810392 /nfs/dbraw/zinc/81/03/92/1094810392.db2.gz HXODBUZBUHPGEK-IBGZPJMESA-N 1 2 366.509 4.306 20 30 FIEDLO O=C(NCC1(Cc2ccccc2)CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329271240 1094810410 /nfs/dbraw/zinc/81/04/10/1094810410.db2.gz HXODBUZBUHPGEK-IBGZPJMESA-N 1 2 366.509 4.306 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329270969 1094811097 /nfs/dbraw/zinc/81/10/97/1094811097.db2.gz HUKUAYFRDHINHR-UXHICEINSA-N 1 2 368.456 4.037 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329270969 1094811123 /nfs/dbraw/zinc/81/11/23/1094811123.db2.gz HUKUAYFRDHINHR-UXHICEINSA-N 1 2 368.456 4.037 20 30 FIEDLO [O-]C(=[NH+]c1ncc(C2CCCCC2)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329460102 1094920504 /nfs/dbraw/zinc/92/05/04/1094920504.db2.gz PCKKAFLRPQCLHX-OAHLLOKOSA-N 1 2 359.499 4.097 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329460102 1094920506 /nfs/dbraw/zinc/92/05/06/1094920506.db2.gz PCKKAFLRPQCLHX-OAHLLOKOSA-N 1 2 359.499 4.097 20 30 FIEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[C@@H]1C ZINC000329619625 1095007827 /nfs/dbraw/zinc/00/78/27/1095007827.db2.gz MHJJLIUSWBYNRH-HOTGVXAUSA-N 1 2 352.482 4.410 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329729256 1095223970 /nfs/dbraw/zinc/22/39/70/1095223970.db2.gz CVUNUBXLUPFGKK-JCURWCKSSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329729256 1095223975 /nfs/dbraw/zinc/22/39/75/1095223975.db2.gz CVUNUBXLUPFGKK-JCURWCKSSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329729258 1095224262 /nfs/dbraw/zinc/22/42/62/1095224262.db2.gz CVUNUBXLUPFGKK-VUCTXSBTSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329729258 1095224271 /nfs/dbraw/zinc/22/42/71/1095224271.db2.gz CVUNUBXLUPFGKK-VUCTXSBTSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000329772093 1095260420 /nfs/dbraw/zinc/26/04/20/1095260420.db2.gz HEKCQOYUBOYJAD-INIZCTEOSA-N 1 2 367.493 4.114 20 30 FIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000329772093 1095260441 /nfs/dbraw/zinc/26/04/41/1095260441.db2.gz HEKCQOYUBOYJAD-INIZCTEOSA-N 1 2 367.493 4.114 20 30 FIEDLO CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000329785124 1095264158 /nfs/dbraw/zinc/26/41/58/1095264158.db2.gz WSOCLEYMAUPSDM-FHWLQOOXSA-N 1 2 366.509 4.251 20 30 FIEDLO C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCS1 ZINC000329792855 1095266678 /nfs/dbraw/zinc/26/66/78/1095266678.db2.gz FOJOWDNVHXCFQA-HNNXBMFYSA-N 1 2 370.522 4.259 20 30 FIEDLO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)n1 ZINC000329895812 1095307347 /nfs/dbraw/zinc/30/73/47/1095307347.db2.gz CDDSIQMEZMYWCO-UHFFFAOYSA-N 1 2 365.437 4.107 20 30 FIEDLO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)n1 ZINC000329895812 1095307362 /nfs/dbraw/zinc/30/73/62/1095307362.db2.gz CDDSIQMEZMYWCO-UHFFFAOYSA-N 1 2 365.437 4.107 20 30 FIEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1Cc2ccccc2-c2ccccc2C1 ZINC000329896892 1095307488 /nfs/dbraw/zinc/30/74/88/1095307488.db2.gz CQOUISCUQUYIDN-QGZVFWFLSA-N 1 2 372.472 4.042 20 30 FIEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000329917817 1095312916 /nfs/dbraw/zinc/31/29/16/1095312916.db2.gz FRFSRMQZNPAECE-DIKOGFFKSA-N 1 2 372.513 4.372 20 30 FIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000183621684 1095766206 /nfs/dbraw/zinc/76/62/06/1095766206.db2.gz GSTUPHCFTVEROI-CYBMUJFWSA-N 1 2 374.897 4.184 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000143211829 1095816769 /nfs/dbraw/zinc/81/67/69/1095816769.db2.gz FDXDDRKYPCUDHY-QGZVFWFLSA-N 1 2 360.461 4.139 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000143211829 1095816790 /nfs/dbraw/zinc/81/67/90/1095816790.db2.gz FDXDDRKYPCUDHY-QGZVFWFLSA-N 1 2 360.461 4.139 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989261 1098658374 /nfs/dbraw/zinc/65/83/74/1098658374.db2.gz VFZWZMGQKPWLOL-VXKWHMMOSA-N 1 2 354.457 4.415 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000532989261 1098658381 /nfs/dbraw/zinc/65/83/81/1098658381.db2.gz VFZWZMGQKPWLOL-VXKWHMMOSA-N 1 2 354.457 4.415 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505835439 1099054636 /nfs/dbraw/zinc/05/46/36/1099054636.db2.gz XRVZRVDDPIIGMS-DOJUMQAQSA-N 1 2 365.502 4.353 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505835439 1099054647 /nfs/dbraw/zinc/05/46/47/1099054647.db2.gz XRVZRVDDPIIGMS-DOJUMQAQSA-N 1 2 365.502 4.353 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccccc1C ZINC000533787823 1099937070 /nfs/dbraw/zinc/93/70/70/1099937070.db2.gz XJTGHBGHYOUDKL-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC1 ZINC000536665206 1100138799 /nfs/dbraw/zinc/13/87/99/1100138799.db2.gz XJCPKMWXNXWWAW-SFHVURJKSA-N 1 2 371.488 4.117 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC1 ZINC000536665206 1100138805 /nfs/dbraw/zinc/13/88/05/1100138805.db2.gz XJCPKMWXNXWWAW-SFHVURJKSA-N 1 2 371.488 4.117 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918644 1101324570 /nfs/dbraw/zinc/32/45/70/1101324570.db2.gz ZTAYDPOLVKYRTN-MOPGFXCFSA-N 1 2 364.892 4.499 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918644 1101324584 /nfs/dbraw/zinc/32/45/84/1101324584.db2.gz ZTAYDPOLVKYRTN-MOPGFXCFSA-N 1 2 364.892 4.499 20 30 FIEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000439425541 1101423651 /nfs/dbraw/zinc/42/36/51/1101423651.db2.gz UPTUOZQGYDSCKJ-UHFFFAOYSA-N 1 2 368.864 4.315 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)c1C#N ZINC000537123879 1101469171 /nfs/dbraw/zinc/46/91/71/1101469171.db2.gz MOAPHUAEXRMXAU-IBGZPJMESA-N 1 2 358.388 4.110 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000182086508 1101597859 /nfs/dbraw/zinc/59/78/59/1101597859.db2.gz UHOCSUDKNOSJLV-UZUQRXQVSA-N 1 2 373.456 4.433 20 30 FIEDLO N#CC1(c2ccccc2)CCC(Nc2cc(CSCCO)cc[nH+]2)CC1 ZINC000537363888 1101695716 /nfs/dbraw/zinc/69/57/16/1101695716.db2.gz UARCXXUFYJXFQP-UHFFFAOYSA-N 1 2 367.518 4.123 20 30 FIEDLO NC(=[NH+]OCc1cnc(Cl)s1)c1ccc(OCc2ccccc2)cc1 ZINC000760352305 1101935312 /nfs/dbraw/zinc/93/53/12/1101935312.db2.gz YTMPGQKJIPNDFV-UHFFFAOYSA-N 1 2 373.865 4.213 20 30 FIEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccco1 ZINC000532487311 1102428360 /nfs/dbraw/zinc/42/83/60/1102428360.db2.gz IIRUOIXYEHTZHK-INIZCTEOSA-N 1 2 371.506 4.380 20 30 FIEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccco1 ZINC000532487311 1102428368 /nfs/dbraw/zinc/42/83/68/1102428368.db2.gz IIRUOIXYEHTZHK-INIZCTEOSA-N 1 2 371.506 4.380 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670258 1102685056 /nfs/dbraw/zinc/68/50/56/1102685056.db2.gz WGAQIRSJFRWUDO-WMZOPIPTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670258 1102685064 /nfs/dbraw/zinc/68/50/64/1102685064.db2.gz WGAQIRSJFRWUDO-WMZOPIPTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000537650066 1102696833 /nfs/dbraw/zinc/69/68/33/1102696833.db2.gz AUWNBKKGELEZAB-FOIQADDNSA-N 1 2 359.491 4.284 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000537650066 1102696839 /nfs/dbraw/zinc/69/68/39/1102696839.db2.gz AUWNBKKGELEZAB-FOIQADDNSA-N 1 2 359.491 4.284 20 30 FIEDLO C=CC[C@@H]1N(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CCCC1(C)C ZINC000477120916 1103144437 /nfs/dbraw/zinc/14/44/37/1103144437.db2.gz LKXJTNULBHTUFJ-SFHVURJKSA-N 1 2 361.436 4.216 20 30 FIEDLO C[C@@H](c1ccccc1Br)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507278030 1103271220 /nfs/dbraw/zinc/27/12/20/1103271220.db2.gz LCQQVGFCTHBSCO-HNNXBMFYSA-N 1 2 370.294 4.204 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000187961246 1103534277 /nfs/dbraw/zinc/53/42/77/1103534277.db2.gz SEFXXQMSNKRFGJ-UHFFFAOYSA-N 1 2 371.444 4.098 20 30 FIEDLO C=CC[N@@H+](Cc1sc2c(cccc2Cl)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000507716202 1103655761 /nfs/dbraw/zinc/65/57/61/1103655761.db2.gz HCNASYJMVKESQC-CYBMUJFWSA-N 1 2 369.939 4.038 20 30 FIEDLO C=CC[N@H+](Cc1sc2c(cccc2Cl)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000507716202 1103655769 /nfs/dbraw/zinc/65/57/69/1103655769.db2.gz HCNASYJMVKESQC-CYBMUJFWSA-N 1 2 369.939 4.038 20 30 FIEDLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Cl)c1 ZINC000538213445 1104037945 /nfs/dbraw/zinc/03/79/45/1104037945.db2.gz WNVXWBDBACUGHC-UHFFFAOYSA-N 1 2 352.825 4.287 20 30 FIEDLO C=CC[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000188194080 1104069084 /nfs/dbraw/zinc/06/90/84/1104069084.db2.gz OMTBYTPLYJFFLZ-SFHVURJKSA-N 1 2 355.507 4.427 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000441162073 1104174542 /nfs/dbraw/zinc/17/45/42/1104174542.db2.gz CMRUCLTYBOWGJT-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000441162073 1104174543 /nfs/dbraw/zinc/17/45/43/1104174543.db2.gz CMRUCLTYBOWGJT-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000328696073 1104538620 /nfs/dbraw/zinc/53/86/20/1104538620.db2.gz KRMHHPPIYINQLT-MLGOLLRUSA-N 1 2 370.478 4.217 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739650 1104546344 /nfs/dbraw/zinc/54/63/44/1104546344.db2.gz LJPJVKGAOCBNJZ-KBPBESRZSA-N 1 2 372.435 4.068 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739650 1104546348 /nfs/dbraw/zinc/54/63/48/1104546348.db2.gz LJPJVKGAOCBNJZ-KBPBESRZSA-N 1 2 372.435 4.068 20 30 FIEDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000328727618 1104556348 /nfs/dbraw/zinc/55/63/48/1104556348.db2.gz DJTZHGOTPVUVOA-HNNXBMFYSA-N 1 2 370.371 4.058 20 30 FIEDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000328727618 1104556355 /nfs/dbraw/zinc/55/63/55/1104556355.db2.gz DJTZHGOTPVUVOA-HNNXBMFYSA-N 1 2 370.371 4.058 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943401 1104595711 /nfs/dbraw/zinc/59/57/11/1104595711.db2.gz AKNWLIWTONRICA-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 ZINC000328943401 1104595720 /nfs/dbraw/zinc/59/57/20/1104595720.db2.gz AKNWLIWTONRICA-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000330775761 1104671496 /nfs/dbraw/zinc/67/14/96/1104671496.db2.gz IABRLEHTJPDDIZ-OAQYLSRUSA-N 1 2 355.526 4.249 20 30 FIEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C#N)CC1 ZINC000057879278 1104940067 /nfs/dbraw/zinc/94/00/67/1104940067.db2.gz VRMOQIZQDOVOAU-LLVKDONJSA-N 1 2 350.344 4.052 20 30 FIEDLO O=C(N[C@@H]1CCc2ccccc21)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330227014 1105002096 /nfs/dbraw/zinc/00/20/96/1105002096.db2.gz PALLUFGBVAHEQZ-YPAWHYETSA-N 1 2 372.472 4.303 20 30 FIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000475344989 1106745452 /nfs/dbraw/zinc/74/54/52/1106745452.db2.gz FXUWIIPCDYMJAQ-KRWDZBQOSA-N 1 2 372.925 4.056 20 30 FIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000475344990 1106745523 /nfs/dbraw/zinc/74/55/23/1106745523.db2.gz FXUWIIPCDYMJAQ-QGZVFWFLSA-N 1 2 372.925 4.056 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000665626173 1106881306 /nfs/dbraw/zinc/88/13/06/1106881306.db2.gz RPJDJRCVAPOEIW-GUDVDZBRSA-N 1 2 371.525 4.116 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451143893 1106943694 /nfs/dbraw/zinc/94/36/94/1106943694.db2.gz GRBGIONTYGZDAX-UHFFFAOYSA-N 1 2 350.315 4.375 20 30 FIEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000530287810 1106951222 /nfs/dbraw/zinc/95/12/22/1106951222.db2.gz CVWUXKQQOBZKKO-KRWDZBQOSA-N 1 2 365.399 4.195 20 30 FIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000428348605 1107398746 /nfs/dbraw/zinc/39/87/46/1107398746.db2.gz MVPLRIZHMWMPAQ-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000428348605 1107398759 /nfs/dbraw/zinc/39/87/59/1107398759.db2.gz MVPLRIZHMWMPAQ-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC000108385951 1107849769 /nfs/dbraw/zinc/84/97/69/1107849769.db2.gz CTCLHDMQPDGHFT-HXUWFJFHSA-N 1 2 364.493 4.038 20 30 FIEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC000108385951 1107849785 /nfs/dbraw/zinc/84/97/85/1107849785.db2.gz CTCLHDMQPDGHFT-HXUWFJFHSA-N 1 2 364.493 4.038 20 30 FIEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000444679426 1108080598 /nfs/dbraw/zinc/08/05/98/1108080598.db2.gz UVXMXBYBUPDCRA-GFCCVEGCSA-N 1 2 356.376 4.162 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccs2)ccc1Cl ZINC000531841181 1108253342 /nfs/dbraw/zinc/25/33/42/1108253342.db2.gz OEOCJFWAMCLSCK-UHFFFAOYSA-N 1 2 361.898 4.089 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccs2)ccc1Cl ZINC000531841181 1108253349 /nfs/dbraw/zinc/25/33/49/1108253349.db2.gz OEOCJFWAMCLSCK-UHFFFAOYSA-N 1 2 361.898 4.089 20 30 FIEDLO C=CCOc1ccccc1C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000508585448 1109432364 /nfs/dbraw/zinc/43/23/64/1109432364.db2.gz CUDQIZKODMTSIC-UHFFFAOYSA-N 1 2 373.500 4.249 20 30 FIEDLO C=CCOc1ccccc1C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000508585448 1109432366 /nfs/dbraw/zinc/43/23/66/1109432366.db2.gz CUDQIZKODMTSIC-UHFFFAOYSA-N 1 2 373.500 4.249 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000526007947 1109586555 /nfs/dbraw/zinc/58/65/55/1109586555.db2.gz HVLMYOFMSQLNOS-HNNXBMFYSA-N 1 2 353.466 4.232 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000526007947 1109586559 /nfs/dbraw/zinc/58/65/59/1109586559.db2.gz HVLMYOFMSQLNOS-HNNXBMFYSA-N 1 2 353.466 4.232 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)ccc1OC(F)F ZINC000527127641 1109695572 /nfs/dbraw/zinc/69/55/72/1109695572.db2.gz BRCATQPWPGTOGH-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)ccc1OC(F)F ZINC000527127641 1109695576 /nfs/dbraw/zinc/69/55/76/1109695576.db2.gz BRCATQPWPGTOGH-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448022828 1109696533 /nfs/dbraw/zinc/69/65/33/1109696533.db2.gz QBXDGTPQAPJTMS-LJQANCHMSA-N 1 2 351.450 4.242 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000448022828 1109696537 /nfs/dbraw/zinc/69/65/37/1109696537.db2.gz QBXDGTPQAPJTMS-LJQANCHMSA-N 1 2 351.450 4.242 20 30 FIEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(CN(C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485991 1110304567 /nfs/dbraw/zinc/30/45/67/1110304567.db2.gz QZHRDTLRMSVUBD-GASCZTMLSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(CN(C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485991 1110304570 /nfs/dbraw/zinc/30/45/70/1110304570.db2.gz QZHRDTLRMSVUBD-GASCZTMLSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@H](CC#N)N(C)Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485991 1110304571 /nfs/dbraw/zinc/30/45/71/1110304571.db2.gz QZHRDTLRMSVUBD-GASCZTMLSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@H](CC#N)N(C)Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000450485991 1110304573 /nfs/dbraw/zinc/30/45/73/1110304573.db2.gz QZHRDTLRMSVUBD-GASCZTMLSA-N 1 2 366.431 4.173 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC(F)F)c1 ZINC000539220039 1111480508 /nfs/dbraw/zinc/48/05/08/1111480508.db2.gz XWKLZUFPEDLPBK-GFCCVEGCSA-N 1 2 370.359 4.060 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000477995778 1111635634 /nfs/dbraw/zinc/63/56/34/1111635634.db2.gz UZNZEMKMDJZBKP-HXUWFJFHSA-N 1 2 374.444 4.299 20 30 FIEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)cs1 ZINC000160679981 1113434563 /nfs/dbraw/zinc/43/45/63/1113434563.db2.gz VPKFMIMIMSLOLH-UHFFFAOYSA-N 1 2 367.396 4.099 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)cs1 ZINC000160679981 1113434565 /nfs/dbraw/zinc/43/45/65/1113434565.db2.gz VPKFMIMIMSLOLH-UHFFFAOYSA-N 1 2 367.396 4.099 20 30 FIEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000483119983 1113442715 /nfs/dbraw/zinc/44/27/15/1113442715.db2.gz NWTIINQZNAQUIX-UHFFFAOYSA-N 1 2 371.868 4.240 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483259712 1113475256 /nfs/dbraw/zinc/47/52/56/1113475256.db2.gz NFFLZTZTKBNCGT-INIZCTEOSA-N 1 2 372.749 4.193 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C#N ZINC000483259665 1113475373 /nfs/dbraw/zinc/47/53/73/1113475373.db2.gz XMVUFRQGHLZTJI-IBGZPJMESA-N 1 2 365.868 4.277 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C#N ZINC000483259665 1113475377 /nfs/dbraw/zinc/47/53/77/1113475377.db2.gz XMVUFRQGHLZTJI-IBGZPJMESA-N 1 2 365.868 4.277 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)ccc1F ZINC000488281163 1113897749 /nfs/dbraw/zinc/89/77/49/1113897749.db2.gz RUBCBPOSQXPTJG-CQSZACIVSA-N 1 2 350.397 4.215 20 30 FIEDLO C=CC[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000488318511 1113906973 /nfs/dbraw/zinc/90/69/73/1113906973.db2.gz XGTSNSMDKOQQEI-PGRDOPGGSA-N 1 2 364.489 4.378 20 30 FIEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000488442809 1113927234 /nfs/dbraw/zinc/92/72/34/1113927234.db2.gz ARUVRHLZFADZPM-LJQANCHMSA-N 1 2 360.379 4.459 20 30 FIEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000488442809 1113927235 /nfs/dbraw/zinc/92/72/35/1113927235.db2.gz ARUVRHLZFADZPM-LJQANCHMSA-N 1 2 360.379 4.459 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000489502256 1114119987 /nfs/dbraw/zinc/11/99/87/1114119987.db2.gz YHJQTNBEXWXPLT-SFHVURJKSA-N 1 2 369.534 4.482 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000489502256 1114119990 /nfs/dbraw/zinc/11/99/90/1114119990.db2.gz YHJQTNBEXWXPLT-SFHVURJKSA-N 1 2 369.534 4.482 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000029530076 1114316195 /nfs/dbraw/zinc/31/61/95/1114316195.db2.gz PZVQVXMEEIZNNE-AWEZNQCLSA-N 1 2 370.840 4.003 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000029530192 1114316211 /nfs/dbraw/zinc/31/62/11/1114316211.db2.gz KYAJXKLMWBHRPT-CQSZACIVSA-N 1 2 370.840 4.003 20 30 FIEDLO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC001168381173 1114507061 /nfs/dbraw/zinc/50/70/61/1114507061.db2.gz CHGXVISTVRJZQI-NRFANRHFSA-N 1 2 364.395 4.327 20 30 FIEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000571915902 1114545141 /nfs/dbraw/zinc/54/51/41/1114545141.db2.gz OMDSYEHSQARNIQ-GFCCVEGCSA-N 1 2 354.281 4.336 20 30 FIEDLO C=CC[N@H+](CCc1ccccc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058206560 1115154089 /nfs/dbraw/zinc/15/40/89/1115154089.db2.gz BHGYRRSRBSJTDO-UHFFFAOYSA-N 1 2 370.547 4.281 20 30 FIEDLO C=CC[N@@H+](CCc1ccccc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058206560 1115154091 /nfs/dbraw/zinc/15/40/91/1115154091.db2.gz BHGYRRSRBSJTDO-UHFFFAOYSA-N 1 2 370.547 4.281 20 30 FIEDLO C[N@@H+]1CC[C@H](N[C@H](C#N)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595477424 1115538627 /nfs/dbraw/zinc/53/86/27/1115538627.db2.gz SPFZMSYHEQGLFC-OTWHNJEPSA-N 1 2 361.823 4.218 20 30 FIEDLO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595477424 1115538629 /nfs/dbraw/zinc/53/86/29/1115538629.db2.gz SPFZMSYHEQGLFC-OTWHNJEPSA-N 1 2 361.823 4.218 20 30 FIEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613532 1115553908 /nfs/dbraw/zinc/55/39/08/1115553908.db2.gz FGHDWGWIVTURAE-GOSISDBHSA-N 1 2 363.461 4.352 20 30 FIEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613532 1115553910 /nfs/dbraw/zinc/55/39/10/1115553910.db2.gz FGHDWGWIVTURAE-GOSISDBHSA-N 1 2 363.461 4.352 20 30 FIEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@@H](CC#N)C1 ZINC000596330602 1115584423 /nfs/dbraw/zinc/58/44/23/1115584423.db2.gz MBUCUNMWFUWCIV-INIZCTEOSA-N 1 2 351.450 4.158 20 30 FIEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060482865 1115646112 /nfs/dbraw/zinc/64/61/12/1115646112.db2.gz FHBDTZVFVQHLRV-UHFFFAOYSA-N 1 2 356.828 4.446 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228563 1115649501 /nfs/dbraw/zinc/64/95/01/1115649501.db2.gz CYGJYGJPCNBQAJ-NRFANRHFSA-N 1 2 352.482 4.049 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228563 1115649504 /nfs/dbraw/zinc/64/95/04/1115649504.db2.gz CYGJYGJPCNBQAJ-NRFANRHFSA-N 1 2 352.482 4.049 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553241 1115826304 /nfs/dbraw/zinc/82/63/04/1115826304.db2.gz WFHPKEAOLHPQKM-AWEZNQCLSA-N 1 2 367.465 4.141 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000599553241 1115826307 /nfs/dbraw/zinc/82/63/07/1115826307.db2.gz WFHPKEAOLHPQKM-AWEZNQCLSA-N 1 2 367.465 4.141 20 30 FIEDLO CCc1ccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)cc1 ZINC000594033136 1115965782 /nfs/dbraw/zinc/96/57/82/1115965782.db2.gz WKJBQERHVJNDAN-UHFFFAOYSA-N 1 2 358.445 4.340 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc(Cl)cc4)no3)CCC2)cc1 ZINC000594033019 1115968667 /nfs/dbraw/zinc/96/86/67/1115968667.db2.gz VUGOFAPUXANWOY-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)C1=O ZINC000539709862 1116368873 /nfs/dbraw/zinc/36/88/73/1116368873.db2.gz AKBBIFQSARDAJZ-VQTJNVASSA-N 1 2 372.871 4.253 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818270 1116384730 /nfs/dbraw/zinc/38/47/30/1116384730.db2.gz OJSWIXGJGPSFKR-VFNWGFHPSA-N 1 2 371.452 4.230 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818270 1116384732 /nfs/dbraw/zinc/38/47/32/1116384732.db2.gz OJSWIXGJGPSFKR-VFNWGFHPSA-N 1 2 371.452 4.230 20 30 FIEDLO N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000460328555 1118337077 /nfs/dbraw/zinc/33/70/77/1118337077.db2.gz CWJWOABDERBUGH-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC#Cc3ccc(F)cc3)n2)ccc1F ZINC000541690294 1118607228 /nfs/dbraw/zinc/60/72/28/1118607228.db2.gz OBLZQEHLLUYKCX-AWEZNQCLSA-N 1 2 353.372 4.026 20 30 FIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000030583139 1119037564 /nfs/dbraw/zinc/03/75/64/1119037564.db2.gz CIRUMOCHFSTVIB-UHFFFAOYSA-N 1 2 371.506 4.192 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178204547 1119377224 /nfs/dbraw/zinc/37/72/24/1119377224.db2.gz RYSDFUFSWVPCOU-AWEZNQCLSA-N 1 2 365.462 4.050 20 30 FIEDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C#N)cc1 ZINC000131158701 1119556355 /nfs/dbraw/zinc/55/63/55/1119556355.db2.gz VHPHOEIATXSSNZ-UHFFFAOYSA-N 1 2 364.430 4.222 20 30 FIEDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C#N)cc1 ZINC000131158701 1119556360 /nfs/dbraw/zinc/55/63/60/1119556360.db2.gz VHPHOEIATXSSNZ-UHFFFAOYSA-N 1 2 364.430 4.222 20 30 FIEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccc(C)cc1 ZINC000762481892 1120915508 /nfs/dbraw/zinc/91/55/08/1120915508.db2.gz UZAIJQKAOSSISY-UHFFFAOYSA-N 1 2 365.506 4.193 20 30 FIEDLO Cc1cccn2c(/C=C\C(=O)c3cc(Br)ccc3F)c[nH+]c12 ZINC000763121805 1121144486 /nfs/dbraw/zinc/14/44/86/1121144486.db2.gz JTMXSJRKASVANL-ALCCZGGFSA-N 1 2 359.198 4.440 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763335470 1121339407 /nfs/dbraw/zinc/33/94/07/1121339407.db2.gz WJNGJMSHPGIEGA-INIZCTEOSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763335470 1121339414 /nfs/dbraw/zinc/33/94/14/1121339414.db2.gz WJNGJMSHPGIEGA-INIZCTEOSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763335472 1121340045 /nfs/dbraw/zinc/34/00/45/1121340045.db2.gz WJNGJMSHPGIEGA-MRXNPFEDSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763335472 1121340054 /nfs/dbraw/zinc/34/00/54/1121340054.db2.gz WJNGJMSHPGIEGA-MRXNPFEDSA-N 1 2 358.486 4.096 20 30 FIEDLO CCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917006703 1121999153 /nfs/dbraw/zinc/99/91/53/1121999153.db2.gz AWDWIXDRCLKGIL-KRWDZBQOSA-N 1 2 363.486 4.385 20 30 FIEDLO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917006703 1121999157 /nfs/dbraw/zinc/99/91/57/1121999157.db2.gz AWDWIXDRCLKGIL-KRWDZBQOSA-N 1 2 363.486 4.385 20 30 FIEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917075622 1122071226 /nfs/dbraw/zinc/07/12/26/1122071226.db2.gz KRVLAUDBBCOBKT-KRWDZBQOSA-N 1 2 363.486 4.383 20 30 FIEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 ZINC000917075622 1122071234 /nfs/dbraw/zinc/07/12/34/1122071234.db2.gz KRVLAUDBBCOBKT-KRWDZBQOSA-N 1 2 363.486 4.383 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000129113366 1122537408 /nfs/dbraw/zinc/53/74/08/1122537408.db2.gz AQYOXYGAZXASMB-QZTJIDSGSA-N 1 2 354.519 4.313 20 30 FIEDLO NC(=[NH+]OCc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000918186204 1122585442 /nfs/dbraw/zinc/58/54/42/1122585442.db2.gz VXJNDVVBAADGLW-UHFFFAOYSA-N 1 2 358.747 4.118 20 30 FIEDLO C[C@@H](C#N)CN(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498659651 1122936915 /nfs/dbraw/zinc/93/69/15/1122936915.db2.gz QPEUWNGCELDSBV-AWEZNQCLSA-N 1 2 365.506 4.016 20 30 FIEDLO N#CCCCOc1cccc(CNc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000131658316 1123149755 /nfs/dbraw/zinc/14/97/55/1123149755.db2.gz VOKFDELRQJXXTR-UHFFFAOYSA-N 1 2 350.466 4.367 20 30 FIEDLO CCOc1ccc(/C=[NH+]/CC2(c3ccccc3C)CCOCC2)c(O)c1 ZINC000920177305 1123404162 /nfs/dbraw/zinc/40/41/62/1123404162.db2.gz FWLBNFYDMBQZNN-HZHRSRAPSA-N 1 2 353.462 4.267 20 30 FIEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609388434 1123699876 /nfs/dbraw/zinc/69/98/76/1123699876.db2.gz DRBWLKUIIYZDEU-CYBMUJFWSA-N 1 2 373.444 4.151 20 30 FIEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609388434 1123699880 /nfs/dbraw/zinc/69/98/80/1123699880.db2.gz DRBWLKUIIYZDEU-CYBMUJFWSA-N 1 2 373.444 4.151 20 30 FIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609623103 1123773149 /nfs/dbraw/zinc/77/31/49/1123773149.db2.gz MIPQJCRYNUNOAF-UHFFFAOYSA-N 1 2 372.359 4.390 20 30 FIEDLO N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)c1 ZINC000609664191 1123787858 /nfs/dbraw/zinc/78/78/58/1123787858.db2.gz WRUQMWNYIWJLCX-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706043 1123803444 /nfs/dbraw/zinc/80/34/44/1123803444.db2.gz NOQSLBUWESMZBG-XJKSGUPXSA-N 1 2 369.490 4.174 20 30 FIEDLO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706043 1123803455 /nfs/dbraw/zinc/80/34/55/1123803455.db2.gz NOQSLBUWESMZBG-XJKSGUPXSA-N 1 2 369.490 4.174 20 30 FIEDLO O=C1c2c(c(F)ccc2Br)C/C1=C/c1c[nH+]c2ccccn12 ZINC000179428566 1123958728 /nfs/dbraw/zinc/95/87/28/1123958728.db2.gz NAUDSLNHZNCRFE-YFHOEESVSA-N 1 2 357.182 4.058 20 30 FIEDLO N#Cc1ccc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000301208146 1124203249 /nfs/dbraw/zinc/20/32/49/1124203249.db2.gz SQQJYDAYSDEJCG-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO C#CC[N@@H+](Cc1cncc(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000785452999 1124550947 /nfs/dbraw/zinc/55/09/47/1124550947.db2.gz AAVLQDTZHXBRMX-SFHVURJKSA-N 1 2 371.278 4.112 20 30 FIEDLO C#CC[N@H+](Cc1cncc(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000785452999 1124550956 /nfs/dbraw/zinc/55/09/56/1124550956.db2.gz AAVLQDTZHXBRMX-SFHVURJKSA-N 1 2 371.278 4.112 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022808 1125441202 /nfs/dbraw/zinc/44/12/02/1125441202.db2.gz HQKWQCYXNOOYDY-HKUYNNGSSA-N 1 2 366.427 4.124 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022808 1125441204 /nfs/dbraw/zinc/44/12/04/1125441204.db2.gz HQKWQCYXNOOYDY-HKUYNNGSSA-N 1 2 366.427 4.124 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602948716 568017572 /nfs/dbraw/zinc/01/75/72/568017572.db2.gz SOBLKUXNBIRRJK-HNNXBMFYSA-N 1 2 363.502 4.091 20 30 FIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(-c2ccccc2F)o1 ZINC000569149428 568297625 /nfs/dbraw/zinc/29/76/25/568297625.db2.gz OCMPWNJCWPLTBT-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(-c2ccccc2F)o1 ZINC000569149428 568297626 /nfs/dbraw/zinc/29/76/26/568297626.db2.gz OCMPWNJCWPLTBT-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO Cc1cc([C@@H](C#N)C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)nc(C)n1 ZINC000604690943 568346036 /nfs/dbraw/zinc/34/60/36/568346036.db2.gz QIQVYNSUWSCTNY-GOSISDBHSA-N 1 2 358.401 4.079 20 30 FIEDLO C[NH+](C)[C@H](C(=O)Nc1cc(C#N)c2ccccc2n1)c1cccc(Cl)c1 ZINC000569962916 568444644 /nfs/dbraw/zinc/44/46/44/568444644.db2.gz FLLDUXPLNZBIRL-IBGZPJMESA-N 1 2 364.836 4.001 20 30 FIEDLO CC(C)[N@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000543059188 1125577848 /nfs/dbraw/zinc/57/78/48/1125577848.db2.gz VWTWKMKXDVVEPX-UHFFFAOYSA-N 1 2 350.285 4.188 20 30 FIEDLO CC(C)[N@@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000543059188 1125577852 /nfs/dbraw/zinc/57/78/52/1125577852.db2.gz VWTWKMKXDVVEPX-UHFFFAOYSA-N 1 2 350.285 4.188 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000619792802 1125706838 /nfs/dbraw/zinc/70/68/38/1125706838.db2.gz WOOLZWKVDIQOLL-OAHLLOKOSA-N 1 2 363.852 4.154 20 30 FIEDLO C=CCSCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000180217918 1080467043 /nfs/dbraw/zinc/46/70/43/1080467043.db2.gz DPCHWPOIACIISJ-SFHVURJKSA-N 1 2 351.475 4.335 20 30 FIEDLO Cc1cn2cc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)ccc2[nH+]1 ZINC000728272287 1081444099 /nfs/dbraw/zinc/44/40/99/1081444099.db2.gz CSDVUGGUTLUBGO-UHFFFAOYSA-N 1 2 369.428 4.174 20 30 FIEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)nn1 ZINC000656115260 1081585047 /nfs/dbraw/zinc/58/50/47/1081585047.db2.gz XEYVVOUCJHUHGK-QFIPXVFZSA-N 1 2 362.477 4.050 20 30 FIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccoc1C ZINC000030545974 1083517633 /nfs/dbraw/zinc/51/76/33/1083517633.db2.gz NRFPTZNXRPJNMU-UHFFFAOYSA-N 1 2 365.462 4.281 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405952 1083780158 /nfs/dbraw/zinc/78/01/58/1083780158.db2.gz FOFBYBIHBPLIPX-QFIPXVFZSA-N 1 2 366.509 4.439 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405952 1083780171 /nfs/dbraw/zinc/78/01/71/1083780171.db2.gz FOFBYBIHBPLIPX-QFIPXVFZSA-N 1 2 366.509 4.439 20 30 FIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000612406808 1083781653 /nfs/dbraw/zinc/78/16/53/1083781653.db2.gz UMNOLSSVJHNGKW-QHCPKHFHSA-N 1 2 371.488 4.119 20 30 FIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000612406808 1083781660 /nfs/dbraw/zinc/78/16/60/1083781660.db2.gz UMNOLSSVJHNGKW-QHCPKHFHSA-N 1 2 371.488 4.119 20 30 FIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3ccco3)c3ccccc3)C2=O)cc1 ZINC000179968458 1083940740 /nfs/dbraw/zinc/94/07/40/1083940740.db2.gz LQWLWMNKHQNXBM-IRLDBZIGSA-N 1 2 371.440 4.026 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Br)c(F)c1 ZINC000162261794 1084053624 /nfs/dbraw/zinc/05/36/24/1084053624.db2.gz WUBVUDFGJICKFW-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cs1 ZINC000892050674 1084182825 /nfs/dbraw/zinc/18/28/25/1084182825.db2.gz XGDINCRNHYFRQP-UHFFFAOYSA-N 1 2 364.392 4.132 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cn(-c2ccccc2)nn1 ZINC000580019830 1084328830 /nfs/dbraw/zinc/32/88/30/1084328830.db2.gz TWNRCRXXEYURTH-ZDUSSCGKSA-N 1 2 371.366 4.009 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000177936536 1084466973 /nfs/dbraw/zinc/46/69/73/1084466973.db2.gz QIQDMLRGFQQJJN-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000177936536 1084466989 /nfs/dbraw/zinc/46/69/89/1084466989.db2.gz QIQDMLRGFQQJJN-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127685857 1085028975 /nfs/dbraw/zinc/02/89/75/1085028975.db2.gz FLAYPRDTCINSOV-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127685857 1085028981 /nfs/dbraw/zinc/02/89/81/1085028981.db2.gz FLAYPRDTCINSOV-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000127733934 1085059783 /nfs/dbraw/zinc/05/97/83/1085059783.db2.gz RIAIHGPRALKKMK-LLVKDONJSA-N 1 2 363.820 4.020 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000127733934 1085059790 /nfs/dbraw/zinc/05/97/90/1085059790.db2.gz RIAIHGPRALKKMK-LLVKDONJSA-N 1 2 363.820 4.020 20 30 FIEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000651622810 1085255299 /nfs/dbraw/zinc/25/52/99/1085255299.db2.gz JRRCHISNDZUUAE-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NCc1cc[nH+]c(N)c1 ZINC001167617208 1085720097 /nfs/dbraw/zinc/72/00/97/1085720097.db2.gz JHMBWSSXMNASAA-UHFFFAOYSA-N 1 2 362.195 4.142 20 30 FIEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4sccc43)CC2)c(Cl)c1 ZINC000572916560 1086094149 /nfs/dbraw/zinc/09/41/49/1086094149.db2.gz IMWVYYSVAPIPMH-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCc4cccnc43)n2)CC1 ZINC000329146468 1086720489 /nfs/dbraw/zinc/72/04/89/1086720489.db2.gz AMPBRXREGZUXJK-INIZCTEOSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@@H]1C[C@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000548798934 1086794751 /nfs/dbraw/zinc/79/47/51/1086794751.db2.gz TXTBLYIYDWHGNF-ZUOKHONESA-N 1 2 364.836 4.287 20 30 FIEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc(C2CC2)cs1 ZINC000647373325 1087790965 /nfs/dbraw/zinc/79/09/65/1087790965.db2.gz FZMNRDIENJXOQF-GOSISDBHSA-N 1 2 365.502 4.496 20 30 FIEDLO C=CCC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000424584507 1088063949 /nfs/dbraw/zinc/06/39/49/1088063949.db2.gz AVUBKJKIPMAZDO-UHFFFAOYSA-N 1 2 365.477 4.198 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000434737413 1089008066 /nfs/dbraw/zinc/00/80/66/1089008066.db2.gz KGFITUNRDWKXMZ-SFHVURJKSA-N 1 2 369.465 4.217 20 30 FIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000434737413 1089008080 /nfs/dbraw/zinc/00/80/80/1089008080.db2.gz KGFITUNRDWKXMZ-SFHVURJKSA-N 1 2 369.465 4.217 20 30 FIEDLO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(C#N)ccc1F ZINC000434993245 1089193108 /nfs/dbraw/zinc/19/31/08/1089193108.db2.gz XNXGKTHLDFPOMY-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(C#N)ccc1F ZINC000434993245 1089193114 /nfs/dbraw/zinc/19/31/14/1089193114.db2.gz XNXGKTHLDFPOMY-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO N#CCCC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000425312755 1089454952 /nfs/dbraw/zinc/45/49/52/1089454952.db2.gz KPBVGSUOQJBHPN-RTWAWAEBSA-N 1 2 372.472 4.483 20 30 FIEDLO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000185089123 1090505491 /nfs/dbraw/zinc/50/54/91/1090505491.db2.gz YVIZJRKSTMJISU-AWEZNQCLSA-N 1 2 374.535 4.025 20 30 FIEDLO N#CC1(CC[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000417158969 1090702634 /nfs/dbraw/zinc/70/26/34/1090702634.db2.gz FVGFUADVKQUTGL-RUZDIDTESA-N 1 2 355.507 4.044 20 30 FIEDLO N#CCC[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC1CC1 ZINC000428236475 1092293382 /nfs/dbraw/zinc/29/33/82/1092293382.db2.gz HNTIHEHCOPEUCY-UHFFFAOYSA-N 1 2 362.399 4.076 20 30 FIEDLO N#CCC[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC1CC1 ZINC000428236475 1092293388 /nfs/dbraw/zinc/29/33/88/1092293388.db2.gz HNTIHEHCOPEUCY-UHFFFAOYSA-N 1 2 362.399 4.076 20 30 FIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)CC1 ZINC000520850772 1092306071 /nfs/dbraw/zinc/30/60/71/1092306071.db2.gz WEUDKYMIYUVEMS-NRFANRHFSA-N 1 2 350.462 4.417 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000512505815 1092596626 /nfs/dbraw/zinc/59/66/26/1092596626.db2.gz CFLBYTOEKYLOMU-SFHVURJKSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000512505815 1092596634 /nfs/dbraw/zinc/59/66/34/1092596634.db2.gz CFLBYTOEKYLOMU-SFHVURJKSA-N 1 2 354.498 4.178 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000512511369 1092613070 /nfs/dbraw/zinc/61/30/70/1092613070.db2.gz GRQFZYNFBXNMML-LJQANCHMSA-N 1 2 372.557 4.237 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000512511369 1092613076 /nfs/dbraw/zinc/61/30/76/1092613076.db2.gz GRQFZYNFBXNMML-LJQANCHMSA-N 1 2 372.557 4.237 20 30 FIEDLO Cc1ccc(C)c(Oc2ccc(C[NH2+]Cc3nc(C#N)cs3)cn2)c1 ZINC000521319635 1092639553 /nfs/dbraw/zinc/63/95/53/1092639553.db2.gz DZUQGACUBBNFHW-UHFFFAOYSA-N 1 2 350.447 4.109 20 30 FIEDLO N#Cc1cccc(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000439065269 1092838431 /nfs/dbraw/zinc/83/84/31/1092838431.db2.gz PYJCQZTUYVBTMU-UHFFFAOYSA-N 1 2 371.444 4.080 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433316271 1093575662 /nfs/dbraw/zinc/57/56/62/1093575662.db2.gz HUKLRKQONHOILV-HNNXBMFYSA-N 1 2 373.909 4.318 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433316271 1093575666 /nfs/dbraw/zinc/57/56/66/1093575666.db2.gz HUKLRKQONHOILV-HNNXBMFYSA-N 1 2 373.909 4.318 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@@H](CC)C2)c1=S ZINC000126234311 1093592816 /nfs/dbraw/zinc/59/28/16/1093592816.db2.gz GWJWVWJGTPKTMY-MRXNPFEDSA-N 1 2 372.538 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@@H](CC)C2)c1=S ZINC000126234311 1093592824 /nfs/dbraw/zinc/59/28/24/1093592824.db2.gz GWJWVWJGTPKTMY-MRXNPFEDSA-N 1 2 372.538 4.355 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000474277449 1093646006 /nfs/dbraw/zinc/64/60/06/1093646006.db2.gz SRTUHRXKZLTYQG-JTHBVZDNSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000474277449 1093646010 /nfs/dbraw/zinc/64/60/10/1093646010.db2.gz SRTUHRXKZLTYQG-JTHBVZDNSA-N 1 2 356.473 4.453 20 30 FIEDLO O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329292264 1094823741 /nfs/dbraw/zinc/82/37/41/1094823741.db2.gz RCPLLMDEYRFCGF-IBGZPJMESA-N 1 2 352.482 4.435 20 30 FIEDLO O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329292264 1094823756 /nfs/dbraw/zinc/82/37/56/1094823756.db2.gz RCPLLMDEYRFCGF-IBGZPJMESA-N 1 2 352.482 4.435 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329437068 1094905241 /nfs/dbraw/zinc/90/52/41/1094905241.db2.gz JFAZTNPPMPDOFC-UHFFFAOYSA-N 1 2 359.499 4.339 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329437068 1094905245 /nfs/dbraw/zinc/90/52/45/1094905245.db2.gz JFAZTNPPMPDOFC-UHFFFAOYSA-N 1 2 359.499 4.339 20 30 FIEDLO CCC1(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCOCC1 ZINC000329462612 1094919796 /nfs/dbraw/zinc/91/97/96/1094919796.db2.gz TYVZVILRLRLGRU-CQSZACIVSA-N 1 2 351.516 4.170 20 30 FIEDLO CCC1(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCOCC1 ZINC000329462612 1094919801 /nfs/dbraw/zinc/91/98/01/1094919801.db2.gz TYVZVILRLRLGRU-CQSZACIVSA-N 1 2 351.516 4.170 20 30 FIEDLO C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329790975 1095265866 /nfs/dbraw/zinc/26/58/66/1095265866.db2.gz DDVQMESXNFSVSP-IYBDPMFKSA-N 1 2 352.482 4.410 20 30 FIEDLO C[C@@H]1CCN(C(=O)NCc2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000329947447 1095325416 /nfs/dbraw/zinc/32/54/16/1095325416.db2.gz KAEWZOFQTRBXNF-PBHICJAKSA-N 1 2 354.479 4.095 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000330177319 1095402342 /nfs/dbraw/zinc/40/23/42/1095402342.db2.gz CWPZTHJPONRNJC-LJQANCHMSA-N 1 2 374.488 4.145 20 30 FIEDLO Cc1oc2ccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2c1C ZINC000330174442 1095402973 /nfs/dbraw/zinc/40/29/73/1095402973.db2.gz ZCGKVGPULGJGMI-UHFFFAOYSA-N 1 2 352.438 4.151 20 30 FIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000330283614 1095448057 /nfs/dbraw/zinc/44/80/57/1095448057.db2.gz WGZYECQSRKJXCV-HOTGVXAUSA-N 1 2 351.516 4.168 20 30 FIEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166892 1095806645 /nfs/dbraw/zinc/80/66/45/1095806645.db2.gz KKPDCHYLWAAWFD-YJYMSZOUSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444166892 1095806664 /nfs/dbraw/zinc/80/66/64/1095806664.db2.gz KKPDCHYLWAAWFD-YJYMSZOUSA-N 1 2 371.843 4.372 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545927604 1096360090 /nfs/dbraw/zinc/36/00/90/1096360090.db2.gz UKZHFTMJXBMXSZ-UHFFFAOYSA-N 1 2 365.868 4.275 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc(Br)ccc1F ZINC000533325856 1098962546 /nfs/dbraw/zinc/96/25/46/1098962546.db2.gz CLFJYVWSAKSFJQ-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000533325856 1098962551 /nfs/dbraw/zinc/96/25/51/1098962551.db2.gz CLFJYVWSAKSFJQ-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505851429 1099152519 /nfs/dbraw/zinc/15/25/19/1099152519.db2.gz MWYULTDLZGFQFQ-BLRBJFNZSA-N 1 2 365.864 4.328 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505851429 1099152523 /nfs/dbraw/zinc/15/25/23/1099152523.db2.gz MWYULTDLZGFQFQ-BLRBJFNZSA-N 1 2 365.864 4.328 20 30 FIEDLO Cc1ccc(-c2ncc(CNc3[nH+]cccc3OCCCC#N)s2)o1 ZINC000162250564 1099658128 /nfs/dbraw/zinc/65/81/28/1099658128.db2.gz WZGZAYPHBXESIL-UHFFFAOYSA-N 1 2 354.435 4.401 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cnc(-c2ccccc2)s1 ZINC000162249685 1099658230 /nfs/dbraw/zinc/65/82/30/1099658230.db2.gz XWRUUOOBBGRZLA-UHFFFAOYSA-N 1 2 350.447 4.500 20 30 FIEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000506042143 1099879393 /nfs/dbraw/zinc/87/93/93/1099879393.db2.gz OWNREIJNPUZJQW-HXUWFJFHSA-N 1 2 363.461 4.001 20 30 FIEDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000517199453 1100175338 /nfs/dbraw/zinc/17/53/38/1100175338.db2.gz WKDQRPQKGOPPNO-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000517199453 1100175345 /nfs/dbraw/zinc/17/53/45/1100175345.db2.gz WKDQRPQKGOPPNO-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1OC(F)F ZINC000506147779 1100238536 /nfs/dbraw/zinc/23/85/36/1100238536.db2.gz IPZOAQVNLPAUAR-UHFFFAOYSA-N 1 2 371.387 4.053 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1OC(F)F ZINC000506147779 1100238544 /nfs/dbraw/zinc/23/85/44/1100238544.db2.gz IPZOAQVNLPAUAR-UHFFFAOYSA-N 1 2 371.387 4.053 20 30 FIEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(C)c3ccccc3n2)ccc1OC ZINC000517551594 1100478243 /nfs/dbraw/zinc/47/82/43/1100478243.db2.gz QLBGIHZWSVBEGP-UHFFFAOYSA-N 1 2 363.461 4.192 20 30 FIEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000438671458 1100847820 /nfs/dbraw/zinc/84/78/20/1100847820.db2.gz NNKOGMYOKLBEPG-JOCHJYFZSA-N 1 2 371.440 4.036 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)ccc1OC ZINC000506370229 1100933691 /nfs/dbraw/zinc/93/36/91/1100933691.db2.gz NUINHWONXJATMS-JOCHJYFZSA-N 1 2 353.462 4.224 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)ccc1OC ZINC000506370229 1100933695 /nfs/dbraw/zinc/93/36/95/1100933695.db2.gz NUINHWONXJATMS-JOCHJYFZSA-N 1 2 353.462 4.224 20 30 FIEDLO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)s1 ZINC000426379279 1101418688 /nfs/dbraw/zinc/41/86/88/1101418688.db2.gz OXCXOLAREYMKTA-UHFFFAOYSA-N 1 2 371.325 4.092 20 30 FIEDLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)s1 ZINC000426379279 1101418692 /nfs/dbraw/zinc/41/86/92/1101418692.db2.gz OXCXOLAREYMKTA-UHFFFAOYSA-N 1 2 371.325 4.092 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000426376975 1101427451 /nfs/dbraw/zinc/42/74/51/1101427451.db2.gz GYVJVDQQOMVJMP-KRWDZBQOSA-N 1 2 371.481 4.021 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000426376975 1101427460 /nfs/dbraw/zinc/42/74/60/1101427460.db2.gz GYVJVDQQOMVJMP-KRWDZBQOSA-N 1 2 371.481 4.021 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)C2CCC2)cc1Cl ZINC001168154112 1101538382 /nfs/dbraw/zinc/53/83/82/1101538382.db2.gz KBSBKFDTRBJHPE-UHFFFAOYSA-N 1 2 371.843 4.344 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)C2CCC2)cc1Cl ZINC001168154112 1101538393 /nfs/dbraw/zinc/53/83/93/1101538393.db2.gz KBSBKFDTRBJHPE-UHFFFAOYSA-N 1 2 371.843 4.344 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426766 1101560591 /nfs/dbraw/zinc/56/05/91/1101560591.db2.gz JAOKXYKUOCGVKD-KZULUSFZSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426766 1101560596 /nfs/dbraw/zinc/56/05/96/1101560596.db2.gz JAOKXYKUOCGVKD-KZULUSFZSA-N 1 2 371.481 4.397 20 30 FIEDLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000182086452 1101597092 /nfs/dbraw/zinc/59/70/92/1101597092.db2.gz UHOCSUDKNOSJLV-SBUREZEXSA-N 1 2 373.456 4.433 20 30 FIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](C#N)CCC#N ZINC000024591330 1101861255 /nfs/dbraw/zinc/86/12/55/1101861255.db2.gz QOMDVEHIDQVWHS-IBGZPJMESA-N 1 2 369.472 4.415 20 30 FIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](C#N)CCC#N ZINC000024591330 1101861271 /nfs/dbraw/zinc/86/12/71/1101861271.db2.gz QOMDVEHIDQVWHS-IBGZPJMESA-N 1 2 369.472 4.415 20 30 FIEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4cc(Br)ccc4C3=O)n21 ZINC000760230760 1101903685 /nfs/dbraw/zinc/90/36/85/1101903685.db2.gz WVOVMLNERXDBBR-UKTHLTGXSA-N 1 2 353.219 4.228 20 30 FIEDLO N#CC(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000191456545 1102205645 /nfs/dbraw/zinc/20/56/45/1102205645.db2.gz PXMOJUCHLIGOCL-FQEVSTJZSA-N 1 2 370.500 4.489 20 30 FIEDLO N#CC(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000191456545 1102205656 /nfs/dbraw/zinc/20/56/56/1102205656.db2.gz PXMOJUCHLIGOCL-FQEVSTJZSA-N 1 2 370.500 4.489 20 30 FIEDLO N#CCCC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000487543472 1102311091 /nfs/dbraw/zinc/31/10/91/1102311091.db2.gz WYMNVPPKDLAKCP-QFIPXVFZSA-N 1 2 372.472 4.025 20 30 FIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000532491170 1102436422 /nfs/dbraw/zinc/43/64/22/1102436422.db2.gz RUKMZIHRAFAWJZ-UHFFFAOYSA-N 1 2 366.852 4.271 20 30 FIEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000532491170 1102436432 /nfs/dbraw/zinc/43/64/32/1102436432.db2.gz RUKMZIHRAFAWJZ-UHFFFAOYSA-N 1 2 366.852 4.271 20 30 FIEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000475885153 1102562536 /nfs/dbraw/zinc/56/25/36/1102562536.db2.gz WZTGXSYHBBIBJV-HNNXBMFYSA-N 1 2 353.466 4.448 20 30 FIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476690656 1102712112 /nfs/dbraw/zinc/71/21/12/1102712112.db2.gz FENUBQIRRSDPRP-MJGOQNOKSA-N 1 2 367.518 4.041 20 30 FIEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000128393807 1102751514 /nfs/dbraw/zinc/75/15/14/1102751514.db2.gz DNRUFHOSDDMBLH-IIBYNOLFSA-N 1 2 363.436 4.011 20 30 FIEDLO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2s1 ZINC000551179512 1102964029 /nfs/dbraw/zinc/96/40/29/1102964029.db2.gz CZMFDODDKXEPBA-KRWDZBQOSA-N 1 2 361.470 4.382 20 30 FIEDLO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2s1 ZINC000551179512 1102964033 /nfs/dbraw/zinc/96/40/33/1102964033.db2.gz CZMFDODDKXEPBA-KRWDZBQOSA-N 1 2 361.470 4.382 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532753808 1103183541 /nfs/dbraw/zinc/18/35/41/1103183541.db2.gz ZFIGKRSZZIIDIC-AWEZNQCLSA-N 1 2 361.898 4.169 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532753808 1103183551 /nfs/dbraw/zinc/18/35/51/1103183551.db2.gz ZFIGKRSZZIIDIC-AWEZNQCLSA-N 1 2 361.898 4.169 20 30 FIEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1O ZINC000507669065 1103588677 /nfs/dbraw/zinc/58/86/77/1103588677.db2.gz MTIWTCFFQOUXBL-HXUWFJFHSA-N 1 2 373.880 4.356 20 30 FIEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1O ZINC000507669065 1103588696 /nfs/dbraw/zinc/58/86/96/1103588696.db2.gz MTIWTCFFQOUXBL-HXUWFJFHSA-N 1 2 373.880 4.356 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4cccc(Cl)c4)CC3)o2)c1 ZINC000538214337 1104038432 /nfs/dbraw/zinc/03/84/32/1104038432.db2.gz CNJJVOFMKAFXKC-UHFFFAOYSA-N 1 2 350.809 4.041 20 30 FIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000328672284 1104530756 /nfs/dbraw/zinc/53/07/56/1104530756.db2.gz IAIKPRWFHPYWLV-GFCCVEGCSA-N 1 2 374.485 4.236 20 30 FIEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601443 1104532451 /nfs/dbraw/zinc/53/24/51/1104532451.db2.gz FMOURHCITGMEHL-CHWSQXEVSA-N 1 2 372.435 4.286 20 30 FIEDLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000328730320 1104558406 /nfs/dbraw/zinc/55/84/06/1104558406.db2.gz WMFXVWOKBJTSTN-HZPDHXFCSA-N 1 2 372.538 4.072 20 30 FIEDLO C[C@@H]1C[C@@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1 ZINC000520589866 1105019492 /nfs/dbraw/zinc/01/94/92/1105019492.db2.gz KAMDIFDYOOMINM-XCLFUZPHSA-N 1 2 364.836 4.287 20 30 FIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000536486026 1105166325 /nfs/dbraw/zinc/16/63/25/1105166325.db2.gz NISWTFCTZMMAFW-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000536486026 1105166332 /nfs/dbraw/zinc/16/63/32/1105166332.db2.gz NISWTFCTZMMAFW-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO CCCCc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000507850799 1105243971 /nfs/dbraw/zinc/24/39/71/1105243971.db2.gz YSQAEQZDEKMMIQ-UHFFFAOYSA-N 1 2 355.507 4.401 20 30 FIEDLO C=CCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000451471957 1107121420 /nfs/dbraw/zinc/12/14/20/1107121420.db2.gz QSWKUWQTDAZMBL-GOSISDBHSA-N 1 2 355.526 4.452 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152467102 1107772654 /nfs/dbraw/zinc/77/26/54/1107772654.db2.gz KTHIYYDKNXCCCL-MSOLQXFVSA-N 1 2 350.865 4.109 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152467102 1107772669 /nfs/dbraw/zinc/77/26/69/1107772669.db2.gz KTHIYYDKNXCCCL-MSOLQXFVSA-N 1 2 350.865 4.109 20 30 FIEDLO COc1cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)ccc1C#N ZINC000440626211 1108371560 /nfs/dbraw/zinc/37/15/60/1108371560.db2.gz QGDPEMJAVLIAGA-UHFFFAOYSA-N 1 2 363.486 4.098 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475645205 1109371307 /nfs/dbraw/zinc/37/13/07/1109371307.db2.gz ZLYAPVMYCPVJEC-QGZVFWFLSA-N 1 2 352.261 4.381 20 30 FIEDLO CC(C)c1ccc2ncc(C#N)c(N(C)Cc3cn4c([nH+]3)CCCC4)c2c1 ZINC000447681858 1109618466 /nfs/dbraw/zinc/61/84/66/1109618466.db2.gz SKPAVLVRNJASQZ-UHFFFAOYSA-N 1 2 359.477 4.399 20 30 FIEDLO C[C@H](c1nnc(SCCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023223594 1109907497 /nfs/dbraw/zinc/90/74/97/1109907497.db2.gz REAQWDCGOAHQSA-MRXNPFEDSA-N 1 2 355.511 4.210 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000538762820 1111290880 /nfs/dbraw/zinc/29/08/80/1111290880.db2.gz LPZQDXNJLYSVAR-SNVBAGLBSA-N 1 2 372.104 4.336 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000538762820 1111290878 /nfs/dbraw/zinc/29/08/78/1111290878.db2.gz LPZQDXNJLYSVAR-SNVBAGLBSA-N 1 2 372.104 4.336 20 30 FIEDLO C=CC[C@@H]1N(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC1(C)C ZINC000462009882 1111463294 /nfs/dbraw/zinc/46/32/94/1111463294.db2.gz RCPPCJCWIYWPMO-FQEVSTJZSA-N 1 2 366.509 4.208 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000552552321 1111745184 /nfs/dbraw/zinc/74/51/84/1111745184.db2.gz XTENTOPRLLNNKG-UHFFFAOYSA-N 1 2 360.392 4.066 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1c(F)cccc1F ZINC000481266065 1112840655 /nfs/dbraw/zinc/84/06/55/1112840655.db2.gz CBEDSVRZDJMAPB-SNVBAGLBSA-N 1 2 351.194 4.450 20 30 FIEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000486751423 1113634994 /nfs/dbraw/zinc/63/49/94/1113634994.db2.gz SEVBESGJVKNLPD-UHFFFAOYSA-N 1 2 351.425 4.030 20 30 FIEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000486751423 1113634999 /nfs/dbraw/zinc/63/49/99/1113634999.db2.gz SEVBESGJVKNLPD-UHFFFAOYSA-N 1 2 351.425 4.030 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000489450131 1114114394 /nfs/dbraw/zinc/11/43/94/1114114394.db2.gz POOOMXAVSGNSFC-WBVHZDCISA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000489450131 1114114396 /nfs/dbraw/zinc/11/43/96/1114114396.db2.gz POOOMXAVSGNSFC-WBVHZDCISA-N 1 2 369.490 4.059 20 30 FIEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000489626740 1114146723 /nfs/dbraw/zinc/14/67/23/1114146723.db2.gz YFACZYMTSDFKHF-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000489626740 1114146725 /nfs/dbraw/zinc/14/67/25/1114146725.db2.gz YFACZYMTSDFKHF-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO Oc1ccc2ccccc2c1/C=N\C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912962663 1114264081 /nfs/dbraw/zinc/26/40/81/1114264081.db2.gz XRUIYIMDXBRCOR-ZKFYFQMZSA-N 1 2 360.457 4.038 20 30 FIEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000590171414 1114907249 /nfs/dbraw/zinc/90/72/49/1114907249.db2.gz TZSLCSUYUQATBJ-QFIPXVFZSA-N 1 2 366.484 4.035 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccc(O)c3Cl)CC2)c(F)c1 ZINC000590366554 1114925512 /nfs/dbraw/zinc/92/55/12/1114925512.db2.gz GFFAVDLPFBJSHL-UHFFFAOYSA-N 1 2 360.816 4.100 20 30 FIEDLO N#CC1(c2ccc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)cc2)CCOCC1 ZINC000593955075 1115362996 /nfs/dbraw/zinc/36/29/96/1115362996.db2.gz XLSRCSBFNDWXSR-UHFFFAOYSA-N 1 2 361.420 4.309 20 30 FIEDLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000594599625 1115463238 /nfs/dbraw/zinc/46/32/38/1115463238.db2.gz CIBBYGYGDXCGDD-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000594599625 1115463241 /nfs/dbraw/zinc/46/32/41/1115463241.db2.gz CIBBYGYGDXCGDD-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO Cn1c(C[NH2+]CC2(C#N)CCCCC2)nc2cc(C(F)(F)F)ccc21 ZINC000594981242 1115505087 /nfs/dbraw/zinc/50/50/87/1115505087.db2.gz LTULGGXSFKPZKI-UHFFFAOYSA-N 1 2 350.388 4.156 20 30 FIEDLO N#CCCC[C@H]([NH2+]Cc1ncsc1Br)c1ccccc1 ZINC000595500822 1115538833 /nfs/dbraw/zinc/53/88/33/1115538833.db2.gz FQDCHJFXAGUPFQ-ZDUSSCGKSA-N 1 2 350.285 4.430 20 30 FIEDLO N#C[C@H](C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cnc2ccccc2n1 ZINC000575109944 1115546197 /nfs/dbraw/zinc/54/61/97/1115546197.db2.gz FWJFTIDXBKAUQB-IBGZPJMESA-N 1 2 370.456 4.106 20 30 FIEDLO N#CC(=C(O)c1cccc(C[NH+]2CCCCC2)c1)c1cnc2ccccc2n1 ZINC000575109944 1115546199 /nfs/dbraw/zinc/54/61/99/1115546199.db2.gz FWJFTIDXBKAUQB-IBGZPJMESA-N 1 2 370.456 4.106 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000595623470 1115551791 /nfs/dbraw/zinc/55/17/91/1115551791.db2.gz QPXMYSBJQFTPRO-SFHVURJKSA-N 1 2 359.473 4.076 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000595623470 1115551794 /nfs/dbraw/zinc/55/17/94/1115551794.db2.gz QPXMYSBJQFTPRO-SFHVURJKSA-N 1 2 359.473 4.076 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)cc1OC ZINC000595611461 1115553768 /nfs/dbraw/zinc/55/37/68/1115553768.db2.gz DMZABLQAWCQWNO-OAHLLOKOSA-N 1 2 371.506 4.343 20 30 FIEDLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)cc1OC ZINC000595611461 1115553772 /nfs/dbraw/zinc/55/37/72/1115553772.db2.gz DMZABLQAWCQWNO-OAHLLOKOSA-N 1 2 371.506 4.343 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595615776 1115554519 /nfs/dbraw/zinc/55/45/19/1115554519.db2.gz NSONNCYTPKHHCO-JKSUJKDBSA-N 1 2 368.506 4.071 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595615776 1115554521 /nfs/dbraw/zinc/55/45/21/1115554521.db2.gz NSONNCYTPKHHCO-JKSUJKDBSA-N 1 2 368.506 4.071 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000597089601 1115639937 /nfs/dbraw/zinc/63/99/37/1115639937.db2.gz ZUKDMKJCSHJZNV-HXUWFJFHSA-N 1 2 352.865 4.469 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000597089601 1115639939 /nfs/dbraw/zinc/63/99/39/1115639939.db2.gz ZUKDMKJCSHJZNV-HXUWFJFHSA-N 1 2 352.865 4.469 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000597114601 1115641523 /nfs/dbraw/zinc/64/15/23/1115641523.db2.gz ZUEKCMURJXHWRL-MRXNPFEDSA-N 1 2 358.445 4.066 20 30 FIEDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1OC(F)F ZINC000597177461 1115646986 /nfs/dbraw/zinc/64/69/86/1115646986.db2.gz MPCOXEJDKLLJGW-GFCCVEGCSA-N 1 2 373.241 4.485 20 30 FIEDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1OC(F)F ZINC000597177461 1115646987 /nfs/dbraw/zinc/64/69/87/1115646987.db2.gz MPCOXEJDKLLJGW-GFCCVEGCSA-N 1 2 373.241 4.485 20 30 FIEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000597182439 1115647310 /nfs/dbraw/zinc/64/73/10/1115647310.db2.gz AGTRNDWDKXHUHK-UHFFFAOYSA-N 1 2 358.536 4.056 20 30 FIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000597426917 1115664700 /nfs/dbraw/zinc/66/47/00/1115664700.db2.gz NCAJIELGYRRWNF-HXUWFJFHSA-N 1 2 364.493 4.222 20 30 FIEDLO CCO[C@H](C)c1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602897192 1115732260 /nfs/dbraw/zinc/73/22/60/1115732260.db2.gz VBZITVCSIVDNCR-OAHLLOKOSA-N 1 2 370.522 4.189 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1cccs1 ZINC000060942809 1115734437 /nfs/dbraw/zinc/73/44/37/1115734437.db2.gz HXSWRNLREISHCK-UHFFFAOYSA-N 1 2 366.889 4.187 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1cccs1 ZINC000060942809 1115734440 /nfs/dbraw/zinc/73/44/40/1115734440.db2.gz HXSWRNLREISHCK-UHFFFAOYSA-N 1 2 366.889 4.187 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000607434017 1116031154 /nfs/dbraw/zinc/03/11/54/1116031154.db2.gz SOWKENFAMPXNQR-CYBMUJFWSA-N 1 2 366.433 4.365 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000607434017 1116031157 /nfs/dbraw/zinc/03/11/57/1116031157.db2.gz SOWKENFAMPXNQR-CYBMUJFWSA-N 1 2 366.433 4.365 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1C#N ZINC000534403415 1116196225 /nfs/dbraw/zinc/19/62/25/1116196225.db2.gz WTHFNHMPZBSGEE-QFIPXVFZSA-N 1 2 374.415 4.363 20 30 FIEDLO C=CCC1(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000457675135 1116298203 /nfs/dbraw/zinc/29/82/03/1116298203.db2.gz MSJHAMKKTRVCRY-UHFFFAOYSA-N 1 2 352.482 4.010 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(O)ccc3Br)CC2)cc1 ZINC000539923602 1117757758 /nfs/dbraw/zinc/75/77/58/1117757758.db2.gz BFXXWIXTLUARRN-UHFFFAOYSA-N 1 2 369.262 4.316 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(O)ccc3Br)CC2)cc1 ZINC000539923602 1117757763 /nfs/dbraw/zinc/75/77/63/1117757763.db2.gz BFXXWIXTLUARRN-UHFFFAOYSA-N 1 2 369.262 4.316 20 30 FIEDLO C[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1cccc(C#N)c1 ZINC000462833665 1117803193 /nfs/dbraw/zinc/80/31/93/1117803193.db2.gz MATNLEUPLBXDIR-HNNXBMFYSA-N 1 2 355.401 4.005 20 30 FIEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000443334901 1118074089 /nfs/dbraw/zinc/07/40/89/1118074089.db2.gz RKVWNKWNTZBPRV-UHFFFAOYSA-N 1 2 350.409 4.083 20 30 FIEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000443334901 1118074094 /nfs/dbraw/zinc/07/40/94/1118074094.db2.gz RKVWNKWNTZBPRV-UHFFFAOYSA-N 1 2 350.409 4.083 20 30 FIEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000540597843 1118140468 /nfs/dbraw/zinc/14/04/68/1118140468.db2.gz VAVNBLRCQVQGDZ-AUUYWEPGSA-N 1 2 350.853 4.385 20 30 FIEDLO N#CCC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000540996025 1118345848 /nfs/dbraw/zinc/34/58/48/1118345848.db2.gz MDSIWVDXRJSTCI-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc4[nH+]ccn43)c2)cc1 ZINC000460335442 1118346576 /nfs/dbraw/zinc/34/65/76/1118346576.db2.gz YHLUXKRQIWFXTG-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)s1 ZINC000464881712 1118731235 /nfs/dbraw/zinc/73/12/35/1118731235.db2.gz VEFUFQGNZKQYAS-MSOLQXFVSA-N 1 2 354.475 4.115 20 30 FIEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)s1 ZINC000464881712 1118731240 /nfs/dbraw/zinc/73/12/40/1118731240.db2.gz VEFUFQGNZKQYAS-MSOLQXFVSA-N 1 2 354.475 4.115 20 30 FIEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)s1 ZINC000464881713 1118731351 /nfs/dbraw/zinc/73/13/51/1118731351.db2.gz VEFUFQGNZKQYAS-QZTJIDSGSA-N 1 2 354.475 4.115 20 30 FIEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)s1 ZINC000464881713 1118731355 /nfs/dbraw/zinc/73/13/55/1118731355.db2.gz VEFUFQGNZKQYAS-QZTJIDSGSA-N 1 2 354.475 4.115 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000491356831 1118939575 /nfs/dbraw/zinc/93/95/75/1118939575.db2.gz RROLCFCRYBRNRV-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000491356831 1118939578 /nfs/dbraw/zinc/93/95/78/1118939578.db2.gz RROLCFCRYBRNRV-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000030583141 1119037468 /nfs/dbraw/zinc/03/74/68/1119037468.db2.gz AQFZBFVZNABLET-UHFFFAOYSA-N 1 2 371.506 4.192 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1OCCc2ccccc21 ZINC000492765790 1119182834 /nfs/dbraw/zinc/18/28/34/1119182834.db2.gz FCBOLMRQTHMFDQ-LJQANCHMSA-N 1 2 371.278 4.067 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H]1OCCc2ccccc21 ZINC000492765790 1119182835 /nfs/dbraw/zinc/18/28/35/1119182835.db2.gz FCBOLMRQTHMFDQ-LJQANCHMSA-N 1 2 371.278 4.067 20 30 FIEDLO Cc1cc(Br)cn2c(CN(CCC#N)CC(C)(C)C)c[nH+]c12 ZINC000542466926 1119459604 /nfs/dbraw/zinc/45/96/04/1119459604.db2.gz NNBZCOIZRZPBOK-UHFFFAOYSA-N 1 2 363.303 4.167 20 30 FIEDLO CCCCc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000609195514 1119841991 /nfs/dbraw/zinc/84/19/91/1119841991.db2.gz JOMVIGSWZFXDLM-UHFFFAOYSA-N 1 2 355.507 4.401 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCCC[C@H](SCC)C2)c1=S ZINC000153114872 1119993453 /nfs/dbraw/zinc/99/34/53/1119993453.db2.gz LLPLMLRGQFUVHK-HNNXBMFYSA-N 1 2 352.573 4.043 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCCC[C@H](SCC)C2)c1=S ZINC000153114872 1119993455 /nfs/dbraw/zinc/99/34/55/1119993455.db2.gz LLPLMLRGQFUVHK-HNNXBMFYSA-N 1 2 352.573 4.043 20 30 FIEDLO Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761758322 1120345209 /nfs/dbraw/zinc/34/52/09/1120345209.db2.gz FQSBNZWSZFNTRZ-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1ccc(C)c(OCCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761758322 1120345213 /nfs/dbraw/zinc/34/52/13/1120345213.db2.gz FQSBNZWSZFNTRZ-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000761761799 1120354514 /nfs/dbraw/zinc/35/45/14/1120354514.db2.gz PXHBJBCQFCVXFW-HSZRJFAPSA-N 1 2 371.440 4.319 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000761761799 1120354521 /nfs/dbraw/zinc/35/45/21/1120354521.db2.gz PXHBJBCQFCVXFW-HSZRJFAPSA-N 1 2 371.440 4.319 20 30 FIEDLO Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761765393 1120361371 /nfs/dbraw/zinc/36/13/71/1120361371.db2.gz LOBVUYFUHUMTCH-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1cc(C)cc(OCCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761765393 1120361375 /nfs/dbraw/zinc/36/13/75/1120361375.db2.gz LOBVUYFUHUMTCH-QFIPXVFZSA-N 1 2 350.462 4.018 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762141120 1120739656 /nfs/dbraw/zinc/73/96/56/1120739656.db2.gz IDWYSECPAZSIMS-KRWDZBQOSA-N 1 2 368.550 4.413 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762141120 1120739661 /nfs/dbraw/zinc/73/96/61/1120739661.db2.gz IDWYSECPAZSIMS-KRWDZBQOSA-N 1 2 368.550 4.413 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[NH+]2CCCCCCC2)c1=S ZINC000915202201 1120867211 /nfs/dbraw/zinc/86/72/11/1120867211.db2.gz ZSMFSSXDTVXHIZ-UHFFFAOYSA-N 1 2 356.539 4.414 20 30 FIEDLO Cc1cccn2c(/C=C3/CCc4ncc(C(F)(F)F)cc4C3=O)c[nH+]c12 ZINC000154078647 1121552931 /nfs/dbraw/zinc/55/29/31/1121552931.db2.gz CTRFIOXRTDCZDF-GHXNOFRVSA-N 1 2 357.335 4.269 20 30 FIEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040785 1122012051 /nfs/dbraw/zinc/01/20/51/1122012051.db2.gz VGQUOZZLHGSOJH-PBHICJAKSA-N 1 2 361.470 4.092 20 30 FIEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccccc21 ZINC000917040785 1122012061 /nfs/dbraw/zinc/01/20/61/1122012061.db2.gz VGQUOZZLHGSOJH-PBHICJAKSA-N 1 2 361.470 4.092 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000186313668 1122027680 /nfs/dbraw/zinc/02/76/80/1122027680.db2.gz GLPGJJJUTPLAIF-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000186313668 1122027689 /nfs/dbraw/zinc/02/76/89/1122027689.db2.gz GLPGJJJUTPLAIF-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000186313644 1122027808 /nfs/dbraw/zinc/02/78/08/1122027808.db2.gz GLPGJJJUTPLAIF-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000186313644 1122027812 /nfs/dbraw/zinc/02/78/12/1122027812.db2.gz GLPGJJJUTPLAIF-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000917099502 1122130263 /nfs/dbraw/zinc/13/02/63/1122130263.db2.gz FQJPOVLPYFLYRK-UHFFFAOYSA-N 1 2 364.880 4.397 20 30 FIEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000917099502 1122130269 /nfs/dbraw/zinc/13/02/69/1122130269.db2.gz FQJPOVLPYFLYRK-UHFFFAOYSA-N 1 2 364.880 4.397 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723880 1122376301 /nfs/dbraw/zinc/37/63/01/1122376301.db2.gz YUFWAOVNJWKDQK-DLBZAZTESA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723880 1122376302 /nfs/dbraw/zinc/37/63/02/1122376302.db2.gz YUFWAOVNJWKDQK-DLBZAZTESA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000917617695 1122380022 /nfs/dbraw/zinc/38/00/22/1122380022.db2.gz PZLYVXMIPWNHSU-GOSISDBHSA-N 1 2 372.513 4.281 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000917617695 1122380023 /nfs/dbraw/zinc/38/00/23/1122380023.db2.gz PZLYVXMIPWNHSU-GOSISDBHSA-N 1 2 372.513 4.281 20 30 FIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cn1 ZINC000556494891 1122925453 /nfs/dbraw/zinc/92/54/53/1122925453.db2.gz IDLRPKLUIKEECI-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cn1 ZINC000556494891 1122925455 /nfs/dbraw/zinc/92/54/55/1122925455.db2.gz IDLRPKLUIKEECI-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO FC(F)(F)c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000556497034 1122927094 /nfs/dbraw/zinc/92/70/94/1122927094.db2.gz BLSBCZMIHLZGCI-UHFFFAOYSA-N 1 2 366.227 4.417 20 30 FIEDLO FC(F)(F)c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 ZINC000556497034 1122927095 /nfs/dbraw/zinc/92/70/95/1122927095.db2.gz BLSBCZMIHLZGCI-UHFFFAOYSA-N 1 2 366.227 4.417 20 30 FIEDLO COc1ccccc1-c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000556509986 1122932628 /nfs/dbraw/zinc/93/26/28/1122932628.db2.gz GEOMKMNQUVJIHM-UHFFFAOYSA-N 1 2 361.470 4.469 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)c1 ZINC000556511031 1122936009 /nfs/dbraw/zinc/93/60/09/1122936009.db2.gz QDTSZXPEAFNTGR-UHFFFAOYSA-N 1 2 351.356 4.270 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000609384805 1123699280 /nfs/dbraw/zinc/69/92/80/1123699280.db2.gz ANVJEHUUONDYHZ-CQSZACIVSA-N 1 2 359.520 4.070 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000609384805 1123699284 /nfs/dbraw/zinc/69/92/84/1123699284.db2.gz ANVJEHUUONDYHZ-CQSZACIVSA-N 1 2 359.520 4.070 20 30 FIEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706040 1123803809 /nfs/dbraw/zinc/80/38/09/1123803809.db2.gz NOQSLBUWESMZBG-BBRMVZONSA-N 1 2 369.490 4.174 20 30 FIEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706040 1123803818 /nfs/dbraw/zinc/80/38/18/1123803818.db2.gz NOQSLBUWESMZBG-BBRMVZONSA-N 1 2 369.490 4.174 20 30 FIEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000609822929 1123850347 /nfs/dbraw/zinc/85/03/47/1123850347.db2.gz VKUCIMOJZRZEJV-GOSISDBHSA-N 1 2 369.468 4.230 20 30 FIEDLO Cc1ccc([C@@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCOCC2)cc1 ZINC000609894697 1123882328 /nfs/dbraw/zinc/88/23/28/1123882328.db2.gz DQEYOSWBASVTOK-HXUWFJFHSA-N 1 2 355.869 4.006 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H](c2ccco2)C1 ZINC000245446700 1124035156 /nfs/dbraw/zinc/03/51/56/1124035156.db2.gz LJSPIEGBKWNIGO-DOTOQJQBSA-N 1 2 369.490 4.307 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H](c2ccco2)C1 ZINC000245446700 1124035161 /nfs/dbraw/zinc/03/51/61/1124035161.db2.gz LJSPIEGBKWNIGO-DOTOQJQBSA-N 1 2 369.490 4.307 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 ZINC000301596079 1124244230 /nfs/dbraw/zinc/24/42/30/1124244230.db2.gz SBXKXMDECDKNFU-UHFFFAOYSA-N 1 2 369.881 4.439 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 ZINC000301596079 1124244234 /nfs/dbraw/zinc/24/42/34/1124244234.db2.gz SBXKXMDECDKNFU-UHFFFAOYSA-N 1 2 369.881 4.439 20 30 FIEDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000273603848 1124274720 /nfs/dbraw/zinc/27/47/20/1124274720.db2.gz MJQBLLZIJFGTHC-AWEZNQCLSA-N 1 2 364.474 4.148 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000302081505 1124282982 /nfs/dbraw/zinc/28/29/82/1124282982.db2.gz CDOOZPANRXEARS-HNNXBMFYSA-N 1 2 367.880 4.297 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000302177162 1124290983 /nfs/dbraw/zinc/29/09/83/1124290983.db2.gz NEIDPHFZJKYZDA-UHFFFAOYSA-N 1 2 367.250 4.178 20 30 FIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCCc3cccnc32)[nH+]1 ZINC001168655811 1124439660 /nfs/dbraw/zinc/43/96/60/1124439660.db2.gz QRVXYXPVRUTLCX-YBMTUEHVSA-N 1 2 370.522 4.156 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)c1 ZINC000109132420 1124540160 /nfs/dbraw/zinc/54/01/60/1124540160.db2.gz XQMNHEDZYITQGC-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO COCC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(C#N)cc1 ZINC000063754022 1124947949 /nfs/dbraw/zinc/94/79/49/1124947949.db2.gz NNMBKOFCTPPESP-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO COCC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(C#N)cc1 ZINC000063754022 1124947953 /nfs/dbraw/zinc/94/79/53/1124947953.db2.gz NNMBKOFCTPPESP-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000112615132 1125012627 /nfs/dbraw/zinc/01/26/27/1125012627.db2.gz APXKCDOHDDBNKY-HNNXBMFYSA-N 1 2 370.294 4.204 20 30 FIEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cccc1Cl ZINC000181744707 1125123773 /nfs/dbraw/zinc/12/37/73/1125123773.db2.gz PJPJFMMFYJDTGM-SNVBAGLBSA-N 1 2 366.223 4.293 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)o1 ZINC000093317934 1125298761 /nfs/dbraw/zinc/29/87/61/1125298761.db2.gz YSDYQALOFGOAHI-UHFFFAOYSA-N 1 2 372.428 4.354 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)o1 ZINC000093317934 1125298765 /nfs/dbraw/zinc/29/87/65/1125298765.db2.gz YSDYQALOFGOAHI-UHFFFAOYSA-N 1 2 372.428 4.354 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccccc1F ZINC000071996788 210063322 /nfs/dbraw/zinc/06/33/22/210063322.db2.gz OTQCSRZTBQZFBE-UHFFFAOYSA-N 1 2 358.432 4.002 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccccc1F ZINC000071996788 210063327 /nfs/dbraw/zinc/06/33/27/210063327.db2.gz OTQCSRZTBQZFBE-UHFFFAOYSA-N 1 2 358.432 4.002 20 30 FIEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000078619349 132191234 /nfs/dbraw/zinc/19/12/34/132191234.db2.gz XFZYBZGDVAPLLR-ZDUSSCGKSA-N 1 2 361.823 4.373 20 30 FIEDLO COCC[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000063754277 567983618 /nfs/dbraw/zinc/98/36/18/567983618.db2.gz ADTGEWKUFZHORM-UHFFFAOYSA-N 1 2 363.486 4.330 20 30 FIEDLO COCC[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000063754277 567983619 /nfs/dbraw/zinc/98/36/19/567983619.db2.gz ADTGEWKUFZHORM-UHFFFAOYSA-N 1 2 363.486 4.330 20 30 FIEDLO CC(C)(C#N)CCCC[NH+]1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602878346 568003529 /nfs/dbraw/zinc/00/35/29/568003529.db2.gz PYSZUXUVPVDBJO-UHFFFAOYSA-N 1 2 351.498 4.371 20 30 FIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000301604354 568095716 /nfs/dbraw/zinc/09/57/16/568095716.db2.gz GXPMEHSFGBNGFH-UHFFFAOYSA-N 1 2 359.882 4.274 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266615 568230611 /nfs/dbraw/zinc/23/06/11/568230611.db2.gz RKQJDSWOZVZNHI-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266615 568230612 /nfs/dbraw/zinc/23/06/12/568230612.db2.gz RKQJDSWOZVZNHI-GFCCVEGCSA-N 1 2 362.260 4.324 20 30 FIEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(Br)cc1C#N ZINC000569877174 568433032 /nfs/dbraw/zinc/43/30/32/568433032.db2.gz KRQMPIIMHJULSX-UHFFFAOYSA-N 1 2 369.184 4.370 20 30 FIEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(Br)cc1C#N ZINC000569877174 568433033 /nfs/dbraw/zinc/43/30/33/568433033.db2.gz KRQMPIIMHJULSX-UHFFFAOYSA-N 1 2 369.184 4.370 20 30 FIEDLO C=CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000605075945 568554175 /nfs/dbraw/zinc/55/41/75/568554175.db2.gz ZUEGDUBNNUURRN-UHFFFAOYSA-N 1 2 360.502 4.451 20 30 FIEDLO C=CCC[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000365382715 568584474 /nfs/dbraw/zinc/58/44/74/568584474.db2.gz SURFXHPIWCHUPS-IBGZPJMESA-N 1 2 352.482 4.068 20 30 FIEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979618 722170069 /nfs/dbraw/zinc/17/00/69/722170069.db2.gz UWGWLKFOKKGDHB-YLJYHZDGSA-N 1 2 364.917 4.044 20 30 FIEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979618 722170070 /nfs/dbraw/zinc/17/00/70/722170070.db2.gz UWGWLKFOKKGDHB-YLJYHZDGSA-N 1 2 364.917 4.044 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ncc(Br)cc1F ZINC000619755926 1125682319 /nfs/dbraw/zinc/68/23/19/1125682319.db2.gz ZHHMSYJJIXGXGF-SECBINFHSA-N 1 2 368.637 4.359 20 30 FIEDLO Cc1c([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cnn1-c1ccc(F)cc1 ZINC000182999607 1125713789 /nfs/dbraw/zinc/71/37/89/1125713789.db2.gz VFHIXDPBHLMNAY-ZDUSSCGKSA-N 1 2 352.388 4.181 20 30 FIEDLO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)c(C#N)c2)cn1 ZINC000430271546 1080284713 /nfs/dbraw/zinc/28/47/13/1080284713.db2.gz VOCXGZOOIZWJEJ-UHFFFAOYSA-N 1 2 368.843 4.287 20 30 FIEDLO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)c(C#N)c2)cn1 ZINC000430271546 1080284719 /nfs/dbraw/zinc/28/47/19/1080284719.db2.gz VOCXGZOOIZWJEJ-UHFFFAOYSA-N 1 2 368.843 4.287 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180519649 1080506334 /nfs/dbraw/zinc/50/63/34/1080506334.db2.gz VEWDQFAVGZGSRK-NRFANRHFSA-N 1 2 351.425 4.003 20 30 FIEDLO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167128222 1080645454 /nfs/dbraw/zinc/64/54/54/1080645454.db2.gz GFWRQSJSBGODCJ-UHFFFAOYSA-N 1 2 369.831 4.245 20 30 FIEDLO Cc1cccc2nc(Cl)c(C#N)c(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167129497 1080655662 /nfs/dbraw/zinc/65/56/62/1080655662.db2.gz MLJZYPGLQAHXPF-UHFFFAOYSA-N 1 2 351.841 4.106 20 30 FIEDLO C#Cc1ccc(Nc2ccc3c(c2)[nH+]c(CCCC(=O)OCC)n3C)cc1 ZINC001210114473 1080995027 /nfs/dbraw/zinc/99/50/27/1080995027.db2.gz DGTRBGFXXXPSJX-UHFFFAOYSA-N 1 2 361.445 4.184 20 30 FIEDLO COc1cccc([C@@H](C)[NH+]2CCN(CCCCC3(C#N)CCC3)CC2)c1 ZINC001167360375 1081717768 /nfs/dbraw/zinc/71/77/68/1081717768.db2.gz MBSRYFSVCBWFSB-LJQANCHMSA-N 1 2 355.526 4.238 20 30 FIEDLO CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000683831900 1081743266 /nfs/dbraw/zinc/74/32/66/1081743266.db2.gz HPHFAOBHUZPNSP-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000683831900 1081743270 /nfs/dbraw/zinc/74/32/70/1081743270.db2.gz HPHFAOBHUZPNSP-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000015547379 1083087868 /nfs/dbraw/zinc/08/78/68/1083087868.db2.gz SORWLVKZBXZTIO-MRXNPFEDSA-N 1 2 371.531 4.312 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000015547379 1083087873 /nfs/dbraw/zinc/08/78/73/1083087873.db2.gz SORWLVKZBXZTIO-MRXNPFEDSA-N 1 2 371.531 4.312 20 30 FIEDLO N#Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1F ZINC000548410700 1083262290 /nfs/dbraw/zinc/26/22/90/1083262290.db2.gz HYJPVQBRBSDJAP-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000471906429 1083295021 /nfs/dbraw/zinc/29/50/21/1083295021.db2.gz IVGKBQRANGAJEK-UHFFFAOYSA-N 1 2 360.461 4.160 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983358 1083352997 /nfs/dbraw/zinc/35/29/97/1083352997.db2.gz ALKZPHQGCKUTTG-ZDUSSCGKSA-N 1 2 367.287 4.004 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983358 1083353000 /nfs/dbraw/zinc/35/30/00/1083353000.db2.gz ALKZPHQGCKUTTG-ZDUSSCGKSA-N 1 2 367.287 4.004 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406543 1083774342 /nfs/dbraw/zinc/77/43/42/1083774342.db2.gz PNDSFCLNPRCLHX-JOCHJYFZSA-N 1 2 350.510 4.355 20 30 FIEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406543 1083774355 /nfs/dbraw/zinc/77/43/55/1083774355.db2.gz PNDSFCLNPRCLHX-JOCHJYFZSA-N 1 2 350.510 4.355 20 30 FIEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C#N ZINC000610991389 1083933071 /nfs/dbraw/zinc/93/30/71/1083933071.db2.gz HPZPEWWIBDINTR-STQMWFEESA-N 1 2 366.305 4.130 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(F)ccc1Br ZINC000162264695 1084053830 /nfs/dbraw/zinc/05/38/30/1084053830.db2.gz MCPPLSOGTSVIHQ-UHFFFAOYSA-N 1 2 364.218 4.278 20 30 FIEDLO C=C[C@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000544023696 1084491037 /nfs/dbraw/zinc/49/10/37/1084491037.db2.gz GKKWWLFZIKQIPB-HXUWFJFHSA-N 1 2 351.494 4.262 20 30 FIEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)c2ccc(OCC)cc2)nn1 ZINC000657318382 1084533736 /nfs/dbraw/zinc/53/37/36/1084533736.db2.gz OIZGNWCSQFKORH-JOCHJYFZSA-N 1 2 362.477 4.132 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c1C ZINC000051425742 1084608536 /nfs/dbraw/zinc/60/85/36/1084608536.db2.gz FGYCPRKUKYWEIY-QGZVFWFLSA-N 1 2 367.518 4.231 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)c1C ZINC000051425742 1084608546 /nfs/dbraw/zinc/60/85/46/1084608546.db2.gz FGYCPRKUKYWEIY-QGZVFWFLSA-N 1 2 367.518 4.231 20 30 FIEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143436412 1084634645 /nfs/dbraw/zinc/63/46/45/1084634645.db2.gz OHIKXFPGUQANCW-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC2 ZINC001143436412 1084634655 /nfs/dbraw/zinc/63/46/55/1084634655.db2.gz OHIKXFPGUQANCW-UHFFFAOYSA-N 1 2 350.315 4.154 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC001167567757 1084918348 /nfs/dbraw/zinc/91/83/48/1084918348.db2.gz JXHJUSOLRCYUFJ-OAQYLSRUSA-N 1 2 354.881 4.435 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC001167567757 1084918352 /nfs/dbraw/zinc/91/83/52/1084918352.db2.gz JXHJUSOLRCYUFJ-OAQYLSRUSA-N 1 2 354.881 4.435 20 30 FIEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930791 1085039168 /nfs/dbraw/zinc/03/91/68/1085039168.db2.gz QYEXTBUWHMTMDE-DZGCQCFKSA-N 1 2 352.265 4.280 20 30 FIEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930791 1085039174 /nfs/dbraw/zinc/03/91/74/1085039174.db2.gz QYEXTBUWHMTMDE-DZGCQCFKSA-N 1 2 352.265 4.280 20 30 FIEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661418831 1085559428 /nfs/dbraw/zinc/55/94/28/1085559428.db2.gz LYZVIVJTEJSRDO-PXNSSMCTSA-N 1 2 370.541 4.243 20 30 FIEDLO O=C(NCC1CCC(c2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329349201 1086921136 /nfs/dbraw/zinc/92/11/36/1086921136.db2.gz CYKYCELXNXKNNA-UUKMXZOPSA-N 1 2 366.509 4.477 20 30 FIEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000583881036 1087010302 /nfs/dbraw/zinc/01/03/02/1087010302.db2.gz QCGZLZGEKIQZDJ-SUMWQHHRSA-N 1 2 365.399 4.431 20 30 FIEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881036 1087010306 /nfs/dbraw/zinc/01/03/06/1087010306.db2.gz QCGZLZGEKIQZDJ-SUMWQHHRSA-N 1 2 365.399 4.431 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC2(CC2)C1 ZINC000329803905 1087362051 /nfs/dbraw/zinc/36/20/51/1087362051.db2.gz JYVOSVQYTBHRBD-UHFFFAOYSA-N 1 2 350.466 4.308 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC000177209026 1088244838 /nfs/dbraw/zinc/24/48/38/1088244838.db2.gz BOKVEPNFJDLJPD-PZJWPPBQSA-N 1 2 367.518 4.098 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC000177209026 1088244856 /nfs/dbraw/zinc/24/48/56/1088244856.db2.gz BOKVEPNFJDLJPD-PZJWPPBQSA-N 1 2 367.518 4.098 20 30 FIEDLO N#CC1(c2ccccc2)CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000589189114 1088562464 /nfs/dbraw/zinc/56/24/64/1088562464.db2.gz DXKYSFZMKRRTSP-UHFFFAOYSA-N 1 2 357.461 4.142 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000480786249 1089669779 /nfs/dbraw/zinc/66/97/79/1089669779.db2.gz MLOYZUBSWYAOQA-UHFFFAOYSA-N 1 2 351.837 4.127 20 30 FIEDLO N#CCC[C@H](C#N)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500125806 1091053492 /nfs/dbraw/zinc/05/34/92/1091053492.db2.gz RIDNGVWGKSCQCZ-CQSZACIVSA-N 1 2 369.362 4.289 20 30 FIEDLO Cc1cc(Br)cc(C[NH2+]CC2(C#N)CCC2)c1OC(F)F ZINC000418145073 1091080316 /nfs/dbraw/zinc/08/03/16/1091080316.db2.gz WPSFHMUECRYMQS-UHFFFAOYSA-N 1 2 359.214 4.142 20 30 FIEDLO N#Cc1c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cn2ccccc12 ZINC000025005241 1091905878 /nfs/dbraw/zinc/90/58/78/1091905878.db2.gz NFISMQHBLHLQEZ-QGZVFWFLSA-N 1 2 351.475 4.054 20 30 FIEDLO N#Cc1c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cn2ccccc12 ZINC000025005241 1091905886 /nfs/dbraw/zinc/90/58/86/1091905886.db2.gz NFISMQHBLHLQEZ-QGZVFWFLSA-N 1 2 351.475 4.054 20 30 FIEDLO N#Cc1c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cn2ccccc12 ZINC000025005237 1091906339 /nfs/dbraw/zinc/90/63/39/1091906339.db2.gz NFISMQHBLHLQEZ-KRWDZBQOSA-N 1 2 351.475 4.054 20 30 FIEDLO N#Cc1c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cn2ccccc12 ZINC000025005237 1091906341 /nfs/dbraw/zinc/90/63/41/1091906341.db2.gz NFISMQHBLHLQEZ-KRWDZBQOSA-N 1 2 351.475 4.054 20 30 FIEDLO C=CCN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379655 1092192487 /nfs/dbraw/zinc/19/24/87/1092192487.db2.gz MNUSOKYIWWTRMJ-UHFFFAOYSA-N 1 2 362.433 4.277 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000521096238 1092497687 /nfs/dbraw/zinc/49/76/87/1092497687.db2.gz WKVZPSRVKYORCW-IBGZPJMESA-N 1 2 361.489 4.041 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000521096238 1092497691 /nfs/dbraw/zinc/49/76/91/1092497691.db2.gz WKVZPSRVKYORCW-IBGZPJMESA-N 1 2 361.489 4.041 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000512505912 1092596655 /nfs/dbraw/zinc/59/66/55/1092596655.db2.gz DKOXQCIMOHXRKX-UHFFFAOYSA-N 1 2 372.469 4.349 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000512505912 1092596664 /nfs/dbraw/zinc/59/66/64/1092596664.db2.gz DKOXQCIMOHXRKX-UHFFFAOYSA-N 1 2 372.469 4.349 20 30 FIEDLO C#CC1([NH2+]Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCCC1 ZINC000895677316 1093661342 /nfs/dbraw/zinc/66/13/42/1093661342.db2.gz LDLWFMGQNACZOE-UHFFFAOYSA-N 1 2 367.518 4.480 20 30 FIEDLO C=CCOc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1OC ZINC000430035505 1094502133 /nfs/dbraw/zinc/50/21/33/1094502133.db2.gz MTQUAYQWSDWAPJ-UHFFFAOYSA-N 1 2 355.331 4.106 20 30 FIEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329056204 1094725272 /nfs/dbraw/zinc/72/52/72/1094725272.db2.gz SOBVDQXPDKWUTF-KRWDZBQOSA-N 1 2 371.525 4.093 20 30 FIEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329056204 1094725288 /nfs/dbraw/zinc/72/52/88/1094725288.db2.gz SOBVDQXPDKWUTF-KRWDZBQOSA-N 1 2 371.525 4.093 20 30 FIEDLO N#CC1(CN2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000501542687 1094766472 /nfs/dbraw/zinc/76/64/72/1094766472.db2.gz VHDAVEMCHIPJFY-OAQYLSRUSA-N 1 2 365.908 4.351 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522480516 1094945794 /nfs/dbraw/zinc/94/57/94/1094945794.db2.gz BVFZACHADWBYSC-UHFFFAOYSA-N 1 2 352.482 4.150 20 30 FIEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000513732149 1095152046 /nfs/dbraw/zinc/15/20/46/1095152046.db2.gz BMLDLSYPLIRNHZ-GXFFZTMASA-N 1 2 354.294 4.293 20 30 FIEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000513732149 1095152052 /nfs/dbraw/zinc/15/20/52/1095152052.db2.gz BMLDLSYPLIRNHZ-GXFFZTMASA-N 1 2 354.294 4.293 20 30 FIEDLO Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000329817629 1095277114 /nfs/dbraw/zinc/27/71/14/1095277114.db2.gz WUIXPLSYZTVEQJ-QAQDUYKDSA-N 1 2 366.509 4.070 20 30 FIEDLO Cc1cc(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc(C)[nH+]1 ZINC000421108325 1095366967 /nfs/dbraw/zinc/36/69/67/1095366967.db2.gz DLRGMQDZGLFCGO-UHFFFAOYSA-N 1 2 352.438 4.069 20 30 FIEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000502502333 1095518474 /nfs/dbraw/zinc/51/84/74/1095518474.db2.gz ZHZVYGSYKITYHI-INIZCTEOSA-N 1 2 363.436 4.122 20 30 FIEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000502502333 1095518494 /nfs/dbraw/zinc/51/84/94/1095518494.db2.gz ZHZVYGSYKITYHI-INIZCTEOSA-N 1 2 363.436 4.122 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000330346480 1095550186 /nfs/dbraw/zinc/55/01/86/1095550186.db2.gz GPWAYSOOEUQDGG-FQEVSTJZSA-N 1 2 364.493 4.175 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000027776058 1095656419 /nfs/dbraw/zinc/65/64/19/1095656419.db2.gz HWRBEPDUVLSDKO-UHFFFAOYSA-N 1 2 373.294 4.384 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000027776058 1095656426 /nfs/dbraw/zinc/65/64/26/1095656426.db2.gz HWRBEPDUVLSDKO-UHFFFAOYSA-N 1 2 373.294 4.384 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522981192 1095931982 /nfs/dbraw/zinc/93/19/82/1095931982.db2.gz AIOYXGVGZOVULE-QGZVFWFLSA-N 1 2 367.896 4.051 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522981192 1095931986 /nfs/dbraw/zinc/93/19/86/1095931986.db2.gz AIOYXGVGZOVULE-QGZVFWFLSA-N 1 2 367.896 4.051 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272596482 1096195649 /nfs/dbraw/zinc/19/56/49/1096195649.db2.gz QFWBQAUDNVKEKW-GOSISDBHSA-N 1 2 361.489 4.230 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000532926064 1098596041 /nfs/dbraw/zinc/59/60/41/1098596041.db2.gz OBMDHINCRZEEOU-CABCVRRESA-N 1 2 357.479 4.163 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000532926064 1098596051 /nfs/dbraw/zinc/59/60/51/1098596051.db2.gz OBMDHINCRZEEOU-CABCVRRESA-N 1 2 357.479 4.163 20 30 FIEDLO N#CCc1cccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000436190349 1098796322 /nfs/dbraw/zinc/79/63/22/1098796322.db2.gz WLLRKQMCBSSJPH-UHFFFAOYSA-N 1 2 356.429 4.205 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)ccc1Cl ZINC000161724206 1099530083 /nfs/dbraw/zinc/53/00/83/1099530083.db2.gz ZORJOQKIAQJXAW-HNNXBMFYSA-N 1 2 359.857 4.181 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccco2)ccc1Cl ZINC000161724206 1099530084 /nfs/dbraw/zinc/53/00/84/1099530084.db2.gz ZORJOQKIAQJXAW-HNNXBMFYSA-N 1 2 359.857 4.181 20 30 FIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(CC#N)cc2Cl)c1C ZINC000455708307 1099968139 /nfs/dbraw/zinc/96/81/39/1099968139.db2.gz SWGVJBYKDRGRJP-UHFFFAOYSA-N 1 2 372.856 4.090 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459539733 1100288270 /nfs/dbraw/zinc/28/82/70/1100288270.db2.gz CSRFWQMAHGUXRS-UHFFFAOYSA-N 1 2 371.506 4.245 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459539733 1100288274 /nfs/dbraw/zinc/28/82/74/1100288274.db2.gz CSRFWQMAHGUXRS-UHFFFAOYSA-N 1 2 371.506 4.245 20 30 FIEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nc2c(s1)CCC2 ZINC000459637502 1100374373 /nfs/dbraw/zinc/37/43/73/1100374373.db2.gz XIHODWNQGIARPJ-SNVBAGLBSA-N 1 2 362.296 4.117 20 30 FIEDLO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000506476603 1101125420 /nfs/dbraw/zinc/12/54/20/1101125420.db2.gz IQJHPEGLWYVUOD-UHFFFAOYSA-N 1 2 350.491 4.395 20 30 FIEDLO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000506476603 1101125429 /nfs/dbraw/zinc/12/54/29/1101125429.db2.gz IQJHPEGLWYVUOD-UHFFFAOYSA-N 1 2 350.491 4.395 20 30 FIEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000518588891 1101323075 /nfs/dbraw/zinc/32/30/75/1101323075.db2.gz DFYONDICNOFUCQ-SFHVURJKSA-N 1 2 362.433 4.200 20 30 FIEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000518588891 1101323089 /nfs/dbraw/zinc/32/30/89/1101323089.db2.gz DFYONDICNOFUCQ-SFHVURJKSA-N 1 2 362.433 4.200 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918646 1101325117 /nfs/dbraw/zinc/32/51/17/1101325117.db2.gz ZTAYDPOLVKYRTN-OALUTQOASA-N 1 2 364.892 4.499 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918646 1101325133 /nfs/dbraw/zinc/32/51/33/1101325133.db2.gz ZTAYDPOLVKYRTN-OALUTQOASA-N 1 2 364.892 4.499 20 30 FIEDLO C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1ccc(C#N)cc1 ZINC000102397104 1101410373 /nfs/dbraw/zinc/41/03/73/1101410373.db2.gz JNPVSOSOTAKLTL-UHFFFAOYSA-N 1 2 363.442 4.042 20 30 FIEDLO C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1ccc(C#N)cc1 ZINC000102397104 1101410379 /nfs/dbraw/zinc/41/03/79/1101410379.db2.gz JNPVSOSOTAKLTL-UHFFFAOYSA-N 1 2 363.442 4.042 20 30 FIEDLO C=CCCC(C)(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666455435 1102226189 /nfs/dbraw/zinc/22/61/89/1102226189.db2.gz XLRKNJDXYHEBEF-UHFFFAOYSA-N 1 2 350.466 4.468 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000560280118 1102451547 /nfs/dbraw/zinc/45/15/47/1102451547.db2.gz PDJGTDYPGSPDOT-UHFFFAOYSA-N 1 2 365.861 4.100 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000560280118 1102451554 /nfs/dbraw/zinc/45/15/54/1102451554.db2.gz PDJGTDYPGSPDOT-UHFFFAOYSA-N 1 2 365.861 4.100 20 30 FIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000476696948 1102703346 /nfs/dbraw/zinc/70/33/46/1102703346.db2.gz LTSHYRWOBRADCZ-INIZCTEOSA-N 1 2 367.518 4.068 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000537660372 1102784600 /nfs/dbraw/zinc/78/46/00/1102784600.db2.gz DETGAUVRMSMMNO-QGZVFWFLSA-N 1 2 357.461 4.058 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000537660372 1102784606 /nfs/dbraw/zinc/78/46/06/1102784606.db2.gz DETGAUVRMSMMNO-QGZVFWFLSA-N 1 2 357.461 4.058 20 30 FIEDLO C=CCN(CC1CCCCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000519572568 1102852919 /nfs/dbraw/zinc/85/29/19/1102852919.db2.gz NGTIZQPJZMEURY-UHFFFAOYSA-N 1 2 351.494 4.069 20 30 FIEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2s1 ZINC000551179513 1102963870 /nfs/dbraw/zinc/96/38/70/1102963870.db2.gz CZMFDODDKXEPBA-QGZVFWFLSA-N 1 2 361.470 4.382 20 30 FIEDLO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2s1 ZINC000551179513 1102963872 /nfs/dbraw/zinc/96/38/72/1102963872.db2.gz CZMFDODDKXEPBA-QGZVFWFLSA-N 1 2 361.470 4.382 20 30 FIEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000538148824 1103997907 /nfs/dbraw/zinc/99/79/07/1103997907.db2.gz LFGPYMLPXSMTOY-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000538148824 1103997916 /nfs/dbraw/zinc/99/79/16/1103997916.db2.gz LFGPYMLPXSMTOY-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000441325585 1104284992 /nfs/dbraw/zinc/28/49/92/1104284992.db2.gz CIGAKEJSXCIUDS-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO COCc1nc(C[NH2+]Cc2ccc(C#N)cc2F)c(-c2ccccc2)s1 ZINC000441386650 1104322129 /nfs/dbraw/zinc/32/21/29/1104322129.db2.gz UKYLBELMOCUMHG-UHFFFAOYSA-N 1 2 367.449 4.257 20 30 FIEDLO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000328730319 1104557831 /nfs/dbraw/zinc/55/78/31/1104557831.db2.gz WMFXVWOKBJTSTN-CVEARBPZSA-N 1 2 372.538 4.072 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000328863334 1104581730 /nfs/dbraw/zinc/58/17/30/1104581730.db2.gz ZFMOGWOWRACRQK-GGPKGHCWSA-N 1 2 373.472 4.064 20 30 FIEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000328863334 1104581735 /nfs/dbraw/zinc/58/17/35/1104581735.db2.gz ZFMOGWOWRACRQK-GGPKGHCWSA-N 1 2 373.472 4.064 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000441451070 1104741969 /nfs/dbraw/zinc/74/19/69/1104741969.db2.gz URILOPXOMIXOJG-NRFANRHFSA-N 1 2 355.432 4.105 20 30 FIEDLO N#Cc1cc(Cl)cc(Br)c1NCc1ccn2cc[nH+]c2c1 ZINC000520468304 1104803443 /nfs/dbraw/zinc/80/34/43/1104803443.db2.gz IDOIOFFISMGCAA-UHFFFAOYSA-N 1 2 361.630 4.234 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 ZINC000487405033 1105295482 /nfs/dbraw/zinc/29/54/82/1105295482.db2.gz MCDGRGMAHSCTTP-ROUUACIJSA-N 1 2 364.493 4.189 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000487405033 1105295485 /nfs/dbraw/zinc/29/54/85/1105295485.db2.gz MCDGRGMAHSCTTP-ROUUACIJSA-N 1 2 364.493 4.189 20 30 FIEDLO N#Cc1c(Br)cccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000439964754 1107104807 /nfs/dbraw/zinc/10/48/07/1107104807.db2.gz ZJKCZZKBATYGLW-UHFFFAOYSA-N 1 2 367.250 4.178 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121509186 1108254371 /nfs/dbraw/zinc/25/43/71/1108254371.db2.gz SRLIQONSYLJBPC-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO C=C(C)COc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1OC ZINC000447055999 1109425100 /nfs/dbraw/zinc/42/51/00/1109425100.db2.gz JRULGJXXDJWILW-UHFFFAOYSA-N 1 2 357.498 4.303 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1OC ZINC000447055999 1109425101 /nfs/dbraw/zinc/42/51/01/1109425101.db2.gz JRULGJXXDJWILW-UHFFFAOYSA-N 1 2 357.498 4.303 20 30 FIEDLO C[C@@H](C#N)CN(Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610623 1110319783 /nfs/dbraw/zinc/31/97/83/1110319783.db2.gz HEPGAUHFGUYHEJ-SJORKVTESA-N 1 2 368.500 4.074 20 30 FIEDLO C[C@@H](C#N)CN(Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610623 1110319786 /nfs/dbraw/zinc/31/97/86/1110319786.db2.gz HEPGAUHFGUYHEJ-SJORKVTESA-N 1 2 368.500 4.074 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000538368395 1111112142 /nfs/dbraw/zinc/11/21/42/1111112142.db2.gz DCMFTOBNPAHDFI-FFZOFVMBSA-N 1 2 352.482 4.156 20 30 FIEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785406 1111298537 /nfs/dbraw/zinc/29/85/37/1111298537.db2.gz QDSBERXEWOCBQL-KBPBESRZSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000538785406 1111298539 /nfs/dbraw/zinc/29/85/39/1111298539.db2.gz QDSBERXEWOCBQL-KBPBESRZSA-N 1 2 362.408 4.255 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1F ZINC000552977482 1111874082 /nfs/dbraw/zinc/87/40/82/1111874082.db2.gz MRFCXVBLGZUKEZ-ZIAGYGMSSA-N 1 2 350.397 4.468 20 30 FIEDLO C=C(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000478906687 1111914545 /nfs/dbraw/zinc/91/45/45/1111914545.db2.gz BGNBWQVRVVQMBD-IBGZPJMESA-N 1 2 353.372 4.198 20 30 FIEDLO C=C(C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000478908059 1111914699 /nfs/dbraw/zinc/91/46/99/1111914699.db2.gz IETUOVMSPKLMJJ-HXUWFJFHSA-N 1 2 367.399 4.257 20 30 FIEDLO C=C(C)[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(F)c(F)c1 ZINC000480610297 1112500537 /nfs/dbraw/zinc/50/05/37/1112500537.db2.gz NHGGZSAIJIJIGB-SFHVURJKSA-N 1 2 356.376 4.360 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483060178 1113431363 /nfs/dbraw/zinc/43/13/63/1113431363.db2.gz VDXRSEKEIULCOZ-TYILLQQXSA-N 1 2 365.502 4.128 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483060178 1113431366 /nfs/dbraw/zinc/43/13/66/1113431366.db2.gz VDXRSEKEIULCOZ-TYILLQQXSA-N 1 2 365.502 4.128 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)cc1C#N ZINC000483306065 1113484302 /nfs/dbraw/zinc/48/43/02/1113484302.db2.gz CNBQGIJYMBMGDI-CYBMUJFWSA-N 1 2 350.285 4.058 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)cc1C#N ZINC000483306065 1113484304 /nfs/dbraw/zinc/48/43/04/1113484304.db2.gz CNBQGIJYMBMGDI-CYBMUJFWSA-N 1 2 350.285 4.058 20 30 FIEDLO N#C[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC2CCC1CC2 ZINC000907138835 1113517326 /nfs/dbraw/zinc/51/73/26/1113517326.db2.gz CWDSRFMRYXQTRX-OGRDWSCISA-N 1 2 372.472 4.260 20 30 FIEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)ccc1OC ZINC000486723588 1113630464 /nfs/dbraw/zinc/63/04/64/1113630464.db2.gz RRLJKKIZRPVWSD-GJZGRUSLSA-N 1 2 358.486 4.133 20 30 FIEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)ccc1Br ZINC000569619972 1113686141 /nfs/dbraw/zinc/68/61/41/1113686141.db2.gz XMHFNBRIHLDEBF-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)ccc1Br ZINC000569619972 1113686146 /nfs/dbraw/zinc/68/61/46/1113686146.db2.gz XMHFNBRIHLDEBF-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(F)c(F)c1 ZINC000488525867 1113946768 /nfs/dbraw/zinc/94/67/68/1113946768.db2.gz WQZIANBRFTURAQ-UHFFFAOYSA-N 1 2 367.399 4.148 20 30 FIEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(F)c(F)c1 ZINC000488525867 1113946771 /nfs/dbraw/zinc/94/67/71/1113946771.db2.gz WQZIANBRFTURAQ-UHFFFAOYSA-N 1 2 367.399 4.148 20 30 FIEDLO CCOc1cc(C[N@H+](C)Cc2ccc(F)cc2C#N)ccc1OC(F)F ZINC000489600470 1114141952 /nfs/dbraw/zinc/14/19/52/1114141952.db2.gz XLVVDJURNIEFSM-UHFFFAOYSA-N 1 2 364.367 4.329 20 30 FIEDLO CCOc1cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)ccc1OC(F)F ZINC000489600470 1114141954 /nfs/dbraw/zinc/14/19/54/1114141954.db2.gz XLVVDJURNIEFSM-UHFFFAOYSA-N 1 2 364.367 4.329 20 30 FIEDLO Clc1ccc2c(c1)nccc2N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912779301 1114201432 /nfs/dbraw/zinc/20/14/32/1114201432.db2.gz ZPPSCPVDVDBJTR-UHFFFAOYSA-N 1 2 366.852 4.171 20 30 FIEDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594711430 1115478538 /nfs/dbraw/zinc/47/85/38/1115478538.db2.gz NHLGCNMMCLUJTJ-VXGBXAGGSA-N 1 2 374.535 4.023 20 30 FIEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C4(C#N)CC4)cc3)n2)c1 ZINC000594929981 1115491511 /nfs/dbraw/zinc/49/15/11/1115491511.db2.gz QYOSOLZAMJTNMP-OAHLLOKOSA-N 1 2 374.444 4.151 20 30 FIEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F ZINC000595686214 1115554498 /nfs/dbraw/zinc/55/44/98/1115554498.db2.gz SSCXRRBJGLTXMU-LJQANCHMSA-N 1 2 350.397 4.234 20 30 FIEDLO N#CC[C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000596875443 1115625696 /nfs/dbraw/zinc/62/56/96/1115625696.db2.gz DKOBCWDWORPWIX-MRXNPFEDSA-N 1 2 363.465 4.044 20 30 FIEDLO Cn1ccc2c[nH+]c(NC3=C(c4ccccc4)C(=O)c4ccccc43)nc21 ZINC001168411546 1115673239 /nfs/dbraw/zinc/67/32/39/1115673239.db2.gz WWHBGBITFCBFCR-UHFFFAOYSA-N 1 2 352.397 4.145 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000599352090 1115809969 /nfs/dbraw/zinc/80/99/69/1115809969.db2.gz LWVQANIMITZDRC-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000599352090 1115809972 /nfs/dbraw/zinc/80/99/72/1115809972.db2.gz LWVQANIMITZDRC-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599677642 1115837700 /nfs/dbraw/zinc/83/77/00/1115837700.db2.gz IQVICWHXWCHNQP-UHFFFAOYSA-N 1 2 351.397 4.095 20 30 FIEDLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599677642 1115837703 /nfs/dbraw/zinc/83/77/03/1115837703.db2.gz IQVICWHXWCHNQP-UHFFFAOYSA-N 1 2 351.397 4.095 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000607434022 1116031170 /nfs/dbraw/zinc/03/11/70/1116031170.db2.gz SOWKENFAMPXNQR-ZDUSSCGKSA-N 1 2 366.433 4.365 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000607434022 1116031173 /nfs/dbraw/zinc/03/11/73/1116031173.db2.gz SOWKENFAMPXNQR-ZDUSSCGKSA-N 1 2 366.433 4.365 20 30 FIEDLO CCCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000063755401 1116105791 /nfs/dbraw/zinc/10/57/91/1116105791.db2.gz RRKDOMZTZRAYDV-UHFFFAOYSA-N 1 2 367.468 4.375 20 30 FIEDLO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1F ZINC000063755401 1116105793 /nfs/dbraw/zinc/10/57/93/1116105793.db2.gz RRKDOMZTZRAYDV-UHFFFAOYSA-N 1 2 367.468 4.375 20 30 FIEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000462921618 1117869061 /nfs/dbraw/zinc/86/90/61/1117869061.db2.gz BVGSDSZVAOZWBU-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC(F)F)cc1 ZINC000540321167 1117983071 /nfs/dbraw/zinc/98/30/71/1117983071.db2.gz XDLZVCROOKUWME-GFCCVEGCSA-N 1 2 370.359 4.060 20 30 FIEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000540831719 1118275731 /nfs/dbraw/zinc/27/57/31/1118275731.db2.gz ZHERVAYPRJUUHA-UHFFFAOYSA-N 1 2 356.294 4.209 20 30 FIEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000540831719 1118275734 /nfs/dbraw/zinc/27/57/34/1118275734.db2.gz ZHERVAYPRJUUHA-UHFFFAOYSA-N 1 2 356.294 4.209 20 30 FIEDLO N#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000541179062 1118410635 /nfs/dbraw/zinc/41/06/35/1118410635.db2.gz YYIOMQCSKLXQRE-UHFFFAOYSA-N 1 2 371.872 4.132 20 30 FIEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)s1 ZINC000464881714 1118731440 /nfs/dbraw/zinc/73/14/40/1118731440.db2.gz VEFUFQGNZKQYAS-ROUUACIJSA-N 1 2 354.475 4.115 20 30 FIEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)s1 ZINC000464881714 1118731444 /nfs/dbraw/zinc/73/14/44/1118731444.db2.gz VEFUFQGNZKQYAS-ROUUACIJSA-N 1 2 354.475 4.115 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000542120636 1118802491 /nfs/dbraw/zinc/80/24/91/1118802491.db2.gz AAFHKFSJZYCYMF-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000491365953 1118937370 /nfs/dbraw/zinc/93/73/70/1118937370.db2.gz GUFKCHIFDNJNCO-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000491365953 1118937373 /nfs/dbraw/zinc/93/73/73/1118937373.db2.gz GUFKCHIFDNJNCO-UHFFFAOYSA-N 1 2 353.249 4.256 20 30 FIEDLO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(C(F)(F)F)on1 ZINC000492067855 1119014235 /nfs/dbraw/zinc/01/42/35/1119014235.db2.gz YYVBCYKBCNPIJM-UHFFFAOYSA-N 1 2 367.371 4.401 20 30 FIEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492658121 1119160258 /nfs/dbraw/zinc/16/02/58/1119160258.db2.gz UKQUAJUMDYZRBE-GOSISDBHSA-N 1 2 358.283 4.386 20 30 FIEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492658121 1119160262 /nfs/dbraw/zinc/16/02/62/1119160262.db2.gz UKQUAJUMDYZRBE-GOSISDBHSA-N 1 2 358.283 4.386 20 30 FIEDLO C=CCC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000188796902 1119796028 /nfs/dbraw/zinc/79/60/28/1119796028.db2.gz NMMOZELGXWJMLL-IBGZPJMESA-N 1 2 352.478 4.415 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193997 1119840207 /nfs/dbraw/zinc/84/02/07/1119840207.db2.gz AHCSWILTOVVONY-UHFFFAOYSA-N 1 2 365.433 4.442 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193997 1119840213 /nfs/dbraw/zinc/84/02/13/1119840213.db2.gz AHCSWILTOVVONY-UHFFFAOYSA-N 1 2 365.433 4.442 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](CCSc3ccc(Cl)cc3)CCO2)c1 ZINC000761755992 1120337137 /nfs/dbraw/zinc/33/71/37/1120337137.db2.gz AEBXFRWCGOELAB-LJQANCHMSA-N 1 2 358.894 4.377 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CCO2)c1 ZINC000761755992 1120337143 /nfs/dbraw/zinc/33/71/43/1120337143.db2.gz AEBXFRWCGOELAB-LJQANCHMSA-N 1 2 358.894 4.377 20 30 FIEDLO CC(C)COc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761759147 1120349858 /nfs/dbraw/zinc/34/98/58/1120349858.db2.gz WTIJLMHFUBLFTQ-QFIPXVFZSA-N 1 2 350.462 4.167 20 30 FIEDLO CC(C)COc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761759147 1120349861 /nfs/dbraw/zinc/34/98/61/1120349861.db2.gz WTIJLMHFUBLFTQ-QFIPXVFZSA-N 1 2 350.462 4.167 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000027220220 1120733791 /nfs/dbraw/zinc/73/37/91/1120733791.db2.gz PKGWDKHLKYDYNO-NRFANRHFSA-N 1 2 370.518 4.012 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1cccs1 ZINC000027220220 1120733798 /nfs/dbraw/zinc/73/37/98/1120733798.db2.gz PKGWDKHLKYDYNO-NRFANRHFSA-N 1 2 370.518 4.012 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000915209981 1120875414 /nfs/dbraw/zinc/87/54/14/1120875414.db2.gz WOKURSJSPILQCV-KRWDZBQOSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000915209981 1120875423 /nfs/dbraw/zinc/87/54/23/1120875423.db2.gz WOKURSJSPILQCV-KRWDZBQOSA-N 1 2 356.539 4.270 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000077394821 1121126823 /nfs/dbraw/zinc/12/68/23/1121126823.db2.gz YVIIFVLQTLTSJO-UHFFFAOYSA-N 1 2 362.539 4.040 20 30 FIEDLO CCCN[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000915965277 1121366685 /nfs/dbraw/zinc/36/66/85/1121366685.db2.gz DFQUMQDQAQCJKG-UTPUEBCMSA-N 1 2 359.901 4.089 20 30 FIEDLO CCC[N@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(C#N)cc1 ZINC000122980730 1122127407 /nfs/dbraw/zinc/12/74/07/1122127407.db2.gz LMRULIZHAGGXDX-UHFFFAOYSA-N 1 2 360.461 4.253 20 30 FIEDLO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(C#N)cc1 ZINC000122980730 1122127411 /nfs/dbraw/zinc/12/74/11/1122127411.db2.gz LMRULIZHAGGXDX-UHFFFAOYSA-N 1 2 360.461 4.253 20 30 FIEDLO COc1cc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)cs2)ccc1O ZINC000106445991 1122217261 /nfs/dbraw/zinc/21/72/61/1122217261.db2.gz HIYIIIVUECVJSE-UHFFFAOYSA-N 1 2 365.458 4.028 20 30 FIEDLO COc1cc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cs2)ccc1O ZINC000106445991 1122217266 /nfs/dbraw/zinc/21/72/66/1122217266.db2.gz HIYIIIVUECVJSE-UHFFFAOYSA-N 1 2 365.458 4.028 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723881 1122375922 /nfs/dbraw/zinc/37/59/22/1122375922.db2.gz YUFWAOVNJWKDQK-IAGOWNOFSA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723881 1122375926 /nfs/dbraw/zinc/37/59/26/1122375926.db2.gz YUFWAOVNJWKDQK-IAGOWNOFSA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCN(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000918067896 1122542981 /nfs/dbraw/zinc/54/29/81/1122542981.db2.gz PVPLZVBVFCIVSX-KRWDZBQOSA-N 1 2 367.896 4.222 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000130907325 1122950890 /nfs/dbraw/zinc/95/08/90/1122950890.db2.gz UCXLARMCICIOTI-HOJAQTOUSA-N 1 2 352.482 4.183 20 30 FIEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000130919051 1122953840 /nfs/dbraw/zinc/95/38/40/1122953840.db2.gz UELFAQCMWYSNGT-UHFFFAOYSA-N 1 2 352.478 4.329 20 30 FIEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000130919051 1122953841 /nfs/dbraw/zinc/95/38/41/1122953841.db2.gz UELFAQCMWYSNGT-UHFFFAOYSA-N 1 2 352.478 4.329 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000499048444 1123158929 /nfs/dbraw/zinc/15/89/29/1123158929.db2.gz PMUQYVQAJZEKLN-ZDUSSCGKSA-N 1 2 366.433 4.365 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000499048444 1123158932 /nfs/dbraw/zinc/15/89/32/1123158932.db2.gz PMUQYVQAJZEKLN-ZDUSSCGKSA-N 1 2 366.433 4.365 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000499065113 1123180865 /nfs/dbraw/zinc/18/08/65/1123180865.db2.gz PMILWGUFKQAEPS-OAHLLOKOSA-N 1 2 362.926 4.437 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000499065113 1123180867 /nfs/dbraw/zinc/18/08/67/1123180867.db2.gz PMILWGUFKQAEPS-OAHLLOKOSA-N 1 2 362.926 4.437 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2nc([C@@H](C)OC)no2)C(C)(C)C)cc1 ZINC000131829373 1123191255 /nfs/dbraw/zinc/19/12/55/1123191255.db2.gz RTZWQQIFAWYUCW-OAHLLOKOSA-N 1 2 359.470 4.143 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2nc([C@@H](C)OC)no2)C(C)(C)C)cc1 ZINC000131829373 1123191257 /nfs/dbraw/zinc/19/12/57/1123191257.db2.gz RTZWQQIFAWYUCW-OAHLLOKOSA-N 1 2 359.470 4.143 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@@H+]1CCc2sccc2C1 ZINC000920175657 1123404038 /nfs/dbraw/zinc/40/40/38/1123404038.db2.gz ZLHPJFUOKGLDLB-DJKKODMXSA-N 1 2 355.290 4.238 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@H+]1CCc2sccc2C1 ZINC000920175657 1123404046 /nfs/dbraw/zinc/40/40/46/1123404046.db2.gz ZLHPJFUOKGLDLB-DJKKODMXSA-N 1 2 355.290 4.238 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609555999 1123755767 /nfs/dbraw/zinc/75/57/67/1123755767.db2.gz QWURVTZMAQBKFF-JKSUJKDBSA-N 1 2 369.494 4.146 20 30 FIEDLO N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609622984 1123773052 /nfs/dbraw/zinc/77/30/52/1123773052.db2.gz AVPBHNMFLXEXET-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C#N ZINC000615806905 1124124132 /nfs/dbraw/zinc/12/41/32/1124124132.db2.gz LCSDABKVMLLUHJ-KRWDZBQOSA-N 1 2 362.399 4.215 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C#N ZINC000615806905 1124124133 /nfs/dbraw/zinc/12/41/33/1124124133.db2.gz LCSDABKVMLLUHJ-KRWDZBQOSA-N 1 2 362.399 4.215 20 30 FIEDLO Cc1cc(C)c2ncc(C#N)c(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000301345522 1124220409 /nfs/dbraw/zinc/22/04/09/1124220409.db2.gz HBAYRIOZPOJNGO-UHFFFAOYSA-N 1 2 357.461 4.199 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3cc(C#N)nc4ccccc43)CC2)cc1 ZINC000301437714 1124230338 /nfs/dbraw/zinc/23/03/38/1124230338.db2.gz HTSVZIRPKCKKRA-UHFFFAOYSA-N 1 2 371.488 4.253 20 30 FIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCNc3ccccc32)[nH+]1 ZINC001168645458 1124267210 /nfs/dbraw/zinc/26/72/10/1124267210.db2.gz KQBIJAFOQMIAKP-VIDSTALTSA-N 1 2 370.522 4.240 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000302137439 1124286576 /nfs/dbraw/zinc/28/65/76/1124286576.db2.gz DNLZWUCODVQOMX-UHFFFAOYSA-N 1 2 371.213 4.258 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000069067594 1124476802 /nfs/dbraw/zinc/47/68/02/1124476802.db2.gz JHNPDCKLGDJOJX-INIZCTEOSA-N 1 2 368.481 4.316 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000069067594 1124476811 /nfs/dbraw/zinc/47/68/11/1124476811.db2.gz JHNPDCKLGDJOJX-INIZCTEOSA-N 1 2 368.481 4.316 20 30 FIEDLO CCCCCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763496238 1124994937 /nfs/dbraw/zinc/99/49/37/1124994937.db2.gz ZKEUZARYCSTERE-HOYKHHGWSA-N 1 2 351.556 4.379 20 30 FIEDLO CCCCCCCOc1cccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763496238 1124994942 /nfs/dbraw/zinc/99/49/42/1124994942.db2.gz ZKEUZARYCSTERE-HOYKHHGWSA-N 1 2 351.556 4.379 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000253352577 1125229754 /nfs/dbraw/zinc/22/97/54/1125229754.db2.gz ORSIGHVLGJNNAL-IAGOWNOFSA-N 1 2 350.865 4.087 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000253352577 1125229759 /nfs/dbraw/zinc/22/97/59/1125229759.db2.gz ORSIGHVLGJNNAL-IAGOWNOFSA-N 1 2 350.865 4.087 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000110298529 132246524 /nfs/dbraw/zinc/24/65/24/132246524.db2.gz RPYWOIPMSDTSJJ-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000096982248 222148155 /nfs/dbraw/zinc/14/81/55/222148155.db2.gz VQDWQJQJEYJSQZ-OAHLLOKOSA-N 1 2 359.520 4.246 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000096982248 222148159 /nfs/dbraw/zinc/14/81/59/222148159.db2.gz VQDWQJQJEYJSQZ-OAHLLOKOSA-N 1 2 359.520 4.246 20 30 FIEDLO COc1nsc(C[NH2+][C@H](CCC#N)c2ccccc2)c1Br ZINC000602582489 567993915 /nfs/dbraw/zinc/99/39/15/567993915.db2.gz MMJYQDMXRVOQHJ-GFCCVEGCSA-N 1 2 366.284 4.049 20 30 FIEDLO CC1(C)[NH2+]C2(CCC(C#N)(c3ccccc3)CC2)N(CC2CCCC2)C1=O ZINC000602754644 568031156 /nfs/dbraw/zinc/03/11/56/568031156.db2.gz DHFQRNIKMZGKTJ-UHFFFAOYSA-N 1 2 365.521 4.119 20 30 FIEDLO Cc1cc[nH+]c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1Br ZINC000568759708 568182227 /nfs/dbraw/zinc/18/22/27/568182227.db2.gz MUXCZFIOBAQNGW-UHFFFAOYSA-N 1 2 368.238 4.026 20 30 FIEDLO C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc32)C[C@@H]1n1cc[nH+]c1 ZINC000570275505 568472191 /nfs/dbraw/zinc/47/21/91/568472191.db2.gz IIWKVUNPHPHIPK-DYVFJYSZSA-N 1 2 351.841 4.044 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1C ZINC000605156510 568588054 /nfs/dbraw/zinc/58/80/54/568588054.db2.gz XRWGDNAWDOCFNW-NRFANRHFSA-N 1 2 354.519 4.264 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1C ZINC000605156510 568588056 /nfs/dbraw/zinc/58/80/56/568588056.db2.gz XRWGDNAWDOCFNW-NRFANRHFSA-N 1 2 354.519 4.264 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768876 1125514948 /nfs/dbraw/zinc/51/49/48/1125514948.db2.gz VWMBLHVQVNFLAL-IFXJQAMLSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768876 1125514954 /nfs/dbraw/zinc/51/49/54/1125514954.db2.gz VWMBLHVQVNFLAL-IFXJQAMLSA-N 1 2 359.491 4.153 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccsc2)ccc1Cl ZINC000619732565 1125679663 /nfs/dbraw/zinc/67/96/63/1125679663.db2.gz CSLGJYTXCNRDGB-UHFFFAOYSA-N 1 2 361.898 4.089 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccsc2)ccc1Cl ZINC000619732565 1125679668 /nfs/dbraw/zinc/67/96/68/1125679668.db2.gz CSLGJYTXCNRDGB-UHFFFAOYSA-N 1 2 361.898 4.089 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(NCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000619792257 1125707051 /nfs/dbraw/zinc/70/70/51/1125707051.db2.gz OFGOELIHHWGSNE-UHFFFAOYSA-N 1 2 351.841 4.213 20 30 FIEDLO C[C@@](O)(C1CC[NH+](Cc2c(F)cccc2C(F)(F)F)CC1)C(F)(F)F ZINC001204464108 1080844504 /nfs/dbraw/zinc/84/45/04/1080844504.db2.gz AIZJLFKZEBDUFW-CQSZACIVSA-N 1 2 373.312 4.370 20 30 FIEDLO FC(F)(F)c1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)nc1 ZINC000683521452 1081045909 /nfs/dbraw/zinc/04/59/09/1081045909.db2.gz MOVWJZFIZNIAIG-UWVGGRQHSA-N 1 2 366.227 4.273 20 30 FIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000160312804 1081308458 /nfs/dbraw/zinc/30/84/58/1081308458.db2.gz UVTAVCMYTDXHMA-HXUWFJFHSA-N 1 2 358.844 4.296 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177694068 1081551849 /nfs/dbraw/zinc/55/18/49/1081551849.db2.gz JFBMZDZLOZTUAJ-FQEVSTJZSA-N 1 2 358.470 4.386 20 30 FIEDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413268 1081814887 /nfs/dbraw/zinc/81/48/87/1081814887.db2.gz KWOGXYDXAJQMDZ-LIRRHRJNSA-N 1 2 360.379 4.377 20 30 FIEDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413268 1081814899 /nfs/dbraw/zinc/81/48/99/1081814899.db2.gz KWOGXYDXAJQMDZ-LIRRHRJNSA-N 1 2 360.379 4.377 20 30 FIEDLO C#CC[N@@H+](Cc1ccnc(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420896 1082030903 /nfs/dbraw/zinc/03/09/03/1082030903.db2.gz LKOCMVIJPGZPTC-SFHVURJKSA-N 1 2 371.278 4.112 20 30 FIEDLO C#CC[N@H+](Cc1ccnc(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420896 1082030909 /nfs/dbraw/zinc/03/09/09/1082030909.db2.gz LKOCMVIJPGZPTC-SFHVURJKSA-N 1 2 371.278 4.112 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656261249 1082048681 /nfs/dbraw/zinc/04/86/81/1082048681.db2.gz HJUAGMXMYBOELI-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656261249 1082048684 /nfs/dbraw/zinc/04/86/84/1082048684.db2.gz HJUAGMXMYBOELI-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C[N@H+](Cc1ccccc1OCc1cccnc1)Cc1cc(C#N)ccc1F ZINC000155418611 1082857118 /nfs/dbraw/zinc/85/71/18/1082857118.db2.gz JMIXUGDLAMXDCY-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO C[N@@H+](Cc1ccccc1OCc1cccnc1)Cc1cc(C#N)ccc1F ZINC000155418611 1082857121 /nfs/dbraw/zinc/85/71/21/1082857121.db2.gz JMIXUGDLAMXDCY-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1ccc(F)cc1-c1csc(NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC000051210029 1082874876 /nfs/dbraw/zinc/87/48/76/1082874876.db2.gz AZAZMYOTCBYBBH-UHFFFAOYSA-N 1 2 363.458 4.278 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccs1 ZINC000051262462 1082935743 /nfs/dbraw/zinc/93/57/43/1082935743.db2.gz JPNCRUXWKMXZAR-UHFFFAOYSA-N 1 2 367.518 4.300 20 30 FIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccs1 ZINC000051262462 1082935751 /nfs/dbraw/zinc/93/57/51/1082935751.db2.gz JPNCRUXWKMXZAR-UHFFFAOYSA-N 1 2 367.518 4.300 20 30 FIEDLO C=CCOc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC001125545259 1083070114 /nfs/dbraw/zinc/07/01/14/1083070114.db2.gz ZEVHTNSNLSRGGI-UHFFFAOYSA-N 1 2 367.836 4.272 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000086235056 1083089211 /nfs/dbraw/zinc/08/92/11/1083089211.db2.gz WOEMYNKLUSTKIN-SFHVURJKSA-N 1 2 365.477 4.369 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1C ZINC000086235056 1083089216 /nfs/dbraw/zinc/08/92/16/1083089216.db2.gz WOEMYNKLUSTKIN-SFHVURJKSA-N 1 2 365.477 4.369 20 30 FIEDLO CC(C)(C)OC(=O)N1CCC(CC[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000179542127 1083557703 /nfs/dbraw/zinc/55/77/03/1083557703.db2.gz ZBFJSDUFTXPEBU-UHFFFAOYSA-N 1 2 361.486 4.032 20 30 FIEDLO CC(C)(C)OC(=O)N1CCC(CC[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000179542127 1083557711 /nfs/dbraw/zinc/55/77/11/1083557711.db2.gz ZBFJSDUFTXPEBU-UHFFFAOYSA-N 1 2 361.486 4.032 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000535786792 1083660177 /nfs/dbraw/zinc/66/01/77/1083660177.db2.gz UGHMQSZWLFGABS-UHFFFAOYSA-N 1 2 369.303 4.371 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000535786792 1083660179 /nfs/dbraw/zinc/66/01/79/1083660179.db2.gz UGHMQSZWLFGABS-UHFFFAOYSA-N 1 2 369.303 4.371 20 30 FIEDLO Cc1ccc(Sc2ccc(C[NH2+]CC3(C#N)CC3)cc2[N+](=O)[O-])cc1 ZINC000564151000 1084194290 /nfs/dbraw/zinc/19/42/90/1084194290.db2.gz QHJNQCVIXVOVFN-UHFFFAOYSA-N 1 2 353.447 4.448 20 30 FIEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1Cl ZINC000548615108 1084305879 /nfs/dbraw/zinc/30/58/79/1084305879.db2.gz GYEPAFZBTFCNCB-UHFFFAOYSA-N 1 2 374.831 4.379 20 30 FIEDLO C=C[C@@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000544023695 1084491634 /nfs/dbraw/zinc/49/16/34/1084491634.db2.gz GKKWWLFZIKQIPB-FQEVSTJZSA-N 1 2 351.494 4.262 20 30 FIEDLO N#Cc1ccc(Cc2cnc(NCc3ccc(-n4cc[nH+]c4)cc3)s2)cc1 ZINC000185937267 1084555715 /nfs/dbraw/zinc/55/57/15/1084555715.db2.gz WHPMVFAAISIQCC-UHFFFAOYSA-N 1 2 371.469 4.403 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1F ZINC000046518416 1085354594 /nfs/dbraw/zinc/35/45/94/1085354594.db2.gz DOVBJUMWICMIFT-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1F ZINC000046518416 1085354600 /nfs/dbraw/zinc/35/46/00/1085354600.db2.gz DOVBJUMWICMIFT-CQSZACIVSA-N 1 2 350.397 4.249 20 30 FIEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661419729 1085564420 /nfs/dbraw/zinc/56/44/20/1085564420.db2.gz PWDRGQSQOBSBNT-GGPKGHCWSA-N 1 2 370.541 4.243 20 30 FIEDLO N#CCCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000162340416 1086053916 /nfs/dbraw/zinc/05/39/16/1086053916.db2.gz XSFBIFPMAFKSPB-UHFFFAOYSA-N 1 2 373.501 4.178 20 30 FIEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1C#N ZINC000535962275 1086408549 /nfs/dbraw/zinc/40/85/49/1086408549.db2.gz CCSYYIOTUCFZMR-YWZLYKJASA-N 1 2 366.486 4.023 20 30 FIEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1C#N ZINC000535962275 1086408552 /nfs/dbraw/zinc/40/85/52/1086408552.db2.gz CCSYYIOTUCFZMR-YWZLYKJASA-N 1 2 366.486 4.023 20 30 FIEDLO O=C(NCC1CCC(c2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329349197 1086920932 /nfs/dbraw/zinc/92/09/32/1086920932.db2.gz CYKYCELXNXKNNA-LYBXBRPPSA-N 1 2 366.509 4.477 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246522467 1086928417 /nfs/dbraw/zinc/92/84/17/1086928417.db2.gz KTHIYYDKNXCCCL-ZWKOTPCHSA-N 1 2 350.865 4.109 20 30 FIEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246522467 1086928418 /nfs/dbraw/zinc/92/84/18/1086928418.db2.gz KTHIYYDKNXCCCL-ZWKOTPCHSA-N 1 2 350.865 4.109 20 30 FIEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000162052075 1087875778 /nfs/dbraw/zinc/87/57/78/1087875778.db2.gz FMIRIGSZGLEREI-UHFFFAOYSA-N 1 2 351.429 4.157 20 30 FIEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)nn1 ZINC000424292830 1087901973 /nfs/dbraw/zinc/90/19/73/1087901973.db2.gz HPBVHEPBSBJBIS-LJQANCHMSA-N 1 2 354.498 4.074 20 30 FIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1 ZINC000053607884 1088353853 /nfs/dbraw/zinc/35/38/53/1088353853.db2.gz JVIPXXMHNCLUIL-UHFFFAOYSA-N 1 2 363.486 4.097 20 30 FIEDLO C=CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1 ZINC000053607884 1088353869 /nfs/dbraw/zinc/35/38/69/1088353869.db2.gz JVIPXXMHNCLUIL-UHFFFAOYSA-N 1 2 363.486 4.097 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513996210 1088601193 /nfs/dbraw/zinc/60/11/93/1088601193.db2.gz GABWCQIQWLIRTB-OXJNMPFZSA-N 1 2 354.881 4.173 20 30 FIEDLO COc1cc(F)cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000648362607 1088702769 /nfs/dbraw/zinc/70/27/69/1088702769.db2.gz ZGZVOGUQBDOQQQ-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO N#CCCC[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000431862805 1090316858 /nfs/dbraw/zinc/31/68/58/1090316858.db2.gz ZCCYLLHYMLDZPM-HXUWFJFHSA-N 1 2 373.460 4.107 20 30 FIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000181603837 1090409078 /nfs/dbraw/zinc/40/90/78/1090409078.db2.gz UNVNCPYKZBUXHA-GFCCVEGCSA-N 1 2 372.350 4.478 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187192924 1091849080 /nfs/dbraw/zinc/84/90/80/1091849080.db2.gz BIYPFEXJTKOAEG-LBPRGKRZSA-N 1 2 365.246 4.399 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512511296 1092613797 /nfs/dbraw/zinc/61/37/97/1092613797.db2.gz FPMANWCKUVFCEV-KRWDZBQOSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512511296 1092613803 /nfs/dbraw/zinc/61/38/03/1092613803.db2.gz FPMANWCKUVFCEV-KRWDZBQOSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000512516437 1092615785 /nfs/dbraw/zinc/61/57/85/1092615785.db2.gz GLLCAGRCCSTQGA-QUCCMNQESA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000512516437 1092615795 /nfs/dbraw/zinc/61/57/95/1092615795.db2.gz GLLCAGRCCSTQGA-QUCCMNQESA-N 1 2 360.546 4.022 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000508806465 1092925390 /nfs/dbraw/zinc/92/53/90/1092925390.db2.gz PIMIHYKKRBAPCA-ZDUSSCGKSA-N 1 2 368.955 4.198 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000508806465 1092925391 /nfs/dbraw/zinc/92/53/91/1092925391.db2.gz PIMIHYKKRBAPCA-ZDUSSCGKSA-N 1 2 368.955 4.198 20 30 FIEDLO CC(C)C[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000521823450 1092939841 /nfs/dbraw/zinc/93/98/41/1092939841.db2.gz WHBYUNBOYLZSMG-UHFFFAOYSA-N 1 2 352.463 4.328 20 30 FIEDLO CC(C)C[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000521823450 1092939844 /nfs/dbraw/zinc/93/98/44/1092939844.db2.gz WHBYUNBOYLZSMG-UHFFFAOYSA-N 1 2 352.463 4.328 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000614182627 1093084028 /nfs/dbraw/zinc/08/40/28/1093084028.db2.gz BWVWDPAKOBSBOW-UHFFFAOYSA-N 1 2 356.473 4.232 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000614182627 1093084037 /nfs/dbraw/zinc/08/40/37/1093084037.db2.gz BWVWDPAKOBSBOW-UHFFFAOYSA-N 1 2 356.473 4.232 20 30 FIEDLO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc(C#N)cc1F ZINC000512660197 1093097637 /nfs/dbraw/zinc/09/76/37/1093097637.db2.gz LUVSLXPTUBUBKC-QGZVFWFLSA-N 1 2 362.452 4.377 20 30 FIEDLO COc1ccc(-c2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)no2)cc1 ZINC000433021468 1093112922 /nfs/dbraw/zinc/11/29/22/1093112922.db2.gz XEPJORLVISWESA-IBGZPJMESA-N 1 2 362.433 4.270 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c(F)c1F ZINC000894117923 1093240496 /nfs/dbraw/zinc/24/04/96/1093240496.db2.gz ULMADGASMXHDJK-UHFFFAOYSA-N 1 2 358.282 4.094 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300924 1093556833 /nfs/dbraw/zinc/55/68/33/1093556833.db2.gz FPBDWLHCBRZAEH-HNNXBMFYSA-N 1 2 374.271 4.293 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300924 1093556852 /nfs/dbraw/zinc/55/68/52/1093556852.db2.gz FPBDWLHCBRZAEH-HNNXBMFYSA-N 1 2 374.271 4.293 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265468 1093630546 /nfs/dbraw/zinc/63/05/46/1093630546.db2.gz IJXBDVAHYTWZQX-FCHUYYIVSA-N 1 2 360.436 4.283 20 30 FIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265468 1093630548 /nfs/dbraw/zinc/63/05/48/1093630548.db2.gz IJXBDVAHYTWZQX-FCHUYYIVSA-N 1 2 360.436 4.283 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000474277448 1093646728 /nfs/dbraw/zinc/64/67/28/1093646728.db2.gz SRTUHRXKZLTYQG-GMAHTHKFSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000474277448 1093646734 /nfs/dbraw/zinc/64/67/34/1093646734.db2.gz SRTUHRXKZLTYQG-GMAHTHKFSA-N 1 2 356.473 4.453 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015546959 1093728531 /nfs/dbraw/zinc/72/85/31/1093728531.db2.gz AMPHBXKUGSRDIQ-MRXNPFEDSA-N 1 2 359.882 4.221 20 30 FIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015546959 1093728534 /nfs/dbraw/zinc/72/85/34/1093728534.db2.gz AMPHBXKUGSRDIQ-MRXNPFEDSA-N 1 2 359.882 4.221 20 30 FIEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280528451 1094354091 /nfs/dbraw/zinc/35/40/91/1094354091.db2.gz SFRNWWUQMWKZFF-UHFFFAOYSA-N 1 2 371.531 4.095 20 30 FIEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280528451 1094354102 /nfs/dbraw/zinc/35/41/02/1094354102.db2.gz SFRNWWUQMWKZFF-UHFFFAOYSA-N 1 2 371.531 4.095 20 30 FIEDLO COc1cc(C#N)ccc1C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000501237508 1094563921 /nfs/dbraw/zinc/56/39/21/1094563921.db2.gz XCKOWFRKMKRVCL-UHFFFAOYSA-N 1 2 357.457 4.473 20 30 FIEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000501237508 1094563928 /nfs/dbraw/zinc/56/39/28/1094563928.db2.gz XCKOWFRKMKRVCL-UHFFFAOYSA-N 1 2 357.457 4.473 20 30 FIEDLO Cc1cc(C)c(NC(=O)C2(c3cncc(Br)c3)CC2)c(C)[nH+]1 ZINC000329260397 1094802547 /nfs/dbraw/zinc/80/25/47/1094802547.db2.gz FQAFIDKGSLXPGN-UHFFFAOYSA-N 1 2 360.255 4.484 20 30 FIEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)[nH]n1 ZINC000329285844 1094818446 /nfs/dbraw/zinc/81/84/46/1094818446.db2.gz LUZOITQSPJAKMJ-CYBMUJFWSA-N 1 2 369.494 4.184 20 30 FIEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)n[nH]1 ZINC000329285844 1094818462 /nfs/dbraw/zinc/81/84/62/1094818462.db2.gz LUZOITQSPJAKMJ-CYBMUJFWSA-N 1 2 369.494 4.184 20 30 FIEDLO C[N@H+](CCC(=O)c1cccs1)Cc1cc(Br)ccc1C#N ZINC001141904970 1094857647 /nfs/dbraw/zinc/85/76/47/1094857647.db2.gz LBSTZAZHAHLVRQ-UHFFFAOYSA-N 1 2 363.280 4.087 20 30 FIEDLO C[N@@H+](CCC(=O)c1cccs1)Cc1cc(Br)ccc1C#N ZINC001141904970 1094857666 /nfs/dbraw/zinc/85/76/66/1094857666.db2.gz LBSTZAZHAHLVRQ-UHFFFAOYSA-N 1 2 363.280 4.087 20 30 FIEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001141905073 1094865036 /nfs/dbraw/zinc/86/50/36/1094865036.db2.gz PKDQFOBHOCFDOK-UHFFFAOYSA-N 1 2 371.278 4.406 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000329482773 1094930662 /nfs/dbraw/zinc/93/06/62/1094930662.db2.gz DXRIXMLKRCKYAB-GFCCVEGCSA-N 1 2 364.852 4.069 20 30 FIEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329601995 1094993891 /nfs/dbraw/zinc/99/38/91/1094993891.db2.gz XVKKWDWRSQGKHH-LJQANCHMSA-N 1 2 367.493 4.312 20 30 FIEDLO C=CCC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000502005861 1095048501 /nfs/dbraw/zinc/04/85/01/1095048501.db2.gz ANNUQQGOJIVJDB-HNNXBMFYSA-N 1 2 351.372 4.185 20 30 FIEDLO N#CCCCn1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000443947087 1095218110 /nfs/dbraw/zinc/21/81/10/1095218110.db2.gz AIIXVTXMQVHSMD-UHFFFAOYSA-N 1 2 369.428 4.383 20 30 FIEDLO C[C@@H]1CCSCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329822776 1095278369 /nfs/dbraw/zinc/27/83/69/1095278369.db2.gz QCDINMFLJWSAQW-OAHLLOKOSA-N 1 2 370.522 4.259 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329830644 1095284817 /nfs/dbraw/zinc/28/48/17/1095284817.db2.gz JVXUZMJRZWYRFM-DQYPLSBCSA-N 1 2 361.873 4.078 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329830644 1095284827 /nfs/dbraw/zinc/28/48/27/1095284827.db2.gz JVXUZMJRZWYRFM-DQYPLSBCSA-N 1 2 361.873 4.078 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000329856221 1095293918 /nfs/dbraw/zinc/29/39/18/1095293918.db2.gz UPFSEDDWPFHZLV-DOPJRALCSA-N 1 2 359.470 4.160 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000329856221 1095293930 /nfs/dbraw/zinc/29/39/30/1095293930.db2.gz UPFSEDDWPFHZLV-DOPJRALCSA-N 1 2 359.470 4.160 20 30 FIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000330156235 1095398258 /nfs/dbraw/zinc/39/82/58/1095398258.db2.gz YRDLDUOEKPRWGV-BPUTZDHNSA-N 1 2 351.516 4.168 20 30 FIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000330156235 1095398271 /nfs/dbraw/zinc/39/82/71/1095398271.db2.gz YRDLDUOEKPRWGV-BPUTZDHNSA-N 1 2 351.516 4.168 20 30 FIEDLO O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330187785 1095409878 /nfs/dbraw/zinc/40/98/78/1095409878.db2.gz UBCDVGCWDRVIEO-RTBURBONSA-N 1 2 352.482 4.160 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000330229113 1095425346 /nfs/dbraw/zinc/42/53/46/1095425346.db2.gz CUJPLFANECMDQJ-IAGOWNOFSA-N 1 2 350.466 4.164 20 30 FIEDLO C=CCOc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1Cl ZINC000414509895 1095503682 /nfs/dbraw/zinc/50/36/82/1095503682.db2.gz SUBZTNCWKWLSIQ-UHFFFAOYSA-N 1 2 357.763 4.003 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000502534811 1095558906 /nfs/dbraw/zinc/55/89/06/1095558906.db2.gz RDERCGLHLQMFDA-UHFFFAOYSA-N 1 2 354.251 4.005 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000502534811 1095558923 /nfs/dbraw/zinc/55/89/23/1095558923.db2.gz RDERCGLHLQMFDA-UHFFFAOYSA-N 1 2 354.251 4.005 20 30 FIEDLO CCn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2c1cccc2F ZINC000502542915 1095567504 /nfs/dbraw/zinc/56/75/04/1095567504.db2.gz GWZOJPAIGCQHKQ-UHFFFAOYSA-N 1 2 360.436 4.356 20 30 FIEDLO CCn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2c1cccc2F ZINC000502542915 1095567513 /nfs/dbraw/zinc/56/75/13/1095567513.db2.gz GWZOJPAIGCQHKQ-UHFFFAOYSA-N 1 2 360.436 4.356 20 30 FIEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(F)c1 ZINC000016585432 1095990001 /nfs/dbraw/zinc/99/00/01/1095990001.db2.gz IHQJJHQGSSFMJF-UHFFFAOYSA-N 1 2 371.481 4.098 20 30 FIEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(F)c1 ZINC000016585432 1095990003 /nfs/dbraw/zinc/99/00/03/1095990003.db2.gz IHQJJHQGSSFMJF-UHFFFAOYSA-N 1 2 371.481 4.098 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000272494303 1096187183 /nfs/dbraw/zinc/18/71/83/1096187183.db2.gz CRWAXBKFHRAKCR-UHFFFAOYSA-N 1 2 360.255 4.230 20 30 FIEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272613951 1096196728 /nfs/dbraw/zinc/19/67/28/1096196728.db2.gz STNFIZLDIQGWOZ-GFCCVEGCSA-N 1 2 364.371 4.442 20 30 FIEDLO O=C(c1cc(F)ccc1F)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000533002376 1098665257 /nfs/dbraw/zinc/66/52/57/1098665257.db2.gz JLILHIRAYQJDRZ-UHFFFAOYSA-N 1 2 357.375 4.050 20 30 FIEDLO C=C(C)[C@H](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)OCC ZINC000425569014 1099063657 /nfs/dbraw/zinc/06/36/57/1099063657.db2.gz KBYZHHYFSPWACT-IBGZPJMESA-N 1 2 353.466 4.196 20 30 FIEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000615060935 1099566135 /nfs/dbraw/zinc/56/61/35/1099566135.db2.gz FYFNDUGCMNTVFH-NRFANRHFSA-N 1 2 372.871 4.359 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OC(F)F)c(F)c1 ZINC000162250838 1099657749 /nfs/dbraw/zinc/65/77/49/1099657749.db2.gz JPWQVZQNLOJCNB-UHFFFAOYSA-N 1 2 351.328 4.117 20 30 FIEDLO CC1(C#N)CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000506047375 1099909014 /nfs/dbraw/zinc/90/90/14/1099909014.db2.gz KPWDAQKXTROXDG-IBGZPJMESA-N 1 2 351.425 4.131 20 30 FIEDLO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)C(C)C ZINC000533786430 1099934262 /nfs/dbraw/zinc/93/42/62/1099934262.db2.gz RKPZVDJEZRTUPA-UONOGXRCSA-N 1 2 372.376 4.255 20 30 FIEDLO C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000455766051 1100022091 /nfs/dbraw/zinc/02/20/91/1100022091.db2.gz FJRMPXGJXVUODJ-KRWDZBQOSA-N 1 2 372.472 4.190 20 30 FIEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000437775459 1100185839 /nfs/dbraw/zinc/18/58/39/1100185839.db2.gz PEUYIXNLLBAMNV-UHFFFAOYSA-N 1 2 371.488 4.405 20 30 FIEDLO CCCOc1ccc(C(C)(C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459455530 1100196620 /nfs/dbraw/zinc/19/66/20/1100196620.db2.gz ZBPKOAWXPMWPLH-UHFFFAOYSA-N 1 2 353.422 4.280 20 30 FIEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1C#N ZINC000459620415 1100350349 /nfs/dbraw/zinc/35/03/49/1100350349.db2.gz KLTJJINATPGGHW-HXUWFJFHSA-N 1 2 363.440 4.153 20 30 FIEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1C#N ZINC000459620415 1100350360 /nfs/dbraw/zinc/35/03/60/1100350360.db2.gz KLTJJINATPGGHW-HXUWFJFHSA-N 1 2 363.440 4.153 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nc2c(s1)CCC2 ZINC000459627038 1100358096 /nfs/dbraw/zinc/35/80/96/1100358096.db2.gz AZVLQKDXCQGRQV-SNVBAGLBSA-N 1 2 362.296 4.117 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532900562 1101526908 /nfs/dbraw/zinc/52/69/08/1101526908.db2.gz HBWNJZIATYGTLB-CYBMUJFWSA-N 1 2 368.955 4.498 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532900562 1101526925 /nfs/dbraw/zinc/52/69/25/1101526925.db2.gz HBWNJZIATYGTLB-CYBMUJFWSA-N 1 2 368.955 4.498 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c(C#N)c1C ZINC000426452496 1101650217 /nfs/dbraw/zinc/65/02/17/1101650217.db2.gz ZYTWNTGUXOSCIM-KZULUSFZSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c(C#N)c1C ZINC000426452496 1101650221 /nfs/dbraw/zinc/65/02/21/1101650221.db2.gz ZYTWNTGUXOSCIM-KZULUSFZSA-N 1 2 371.481 4.397 20 30 FIEDLO N#Cc1ccc(F)c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC001270612152 1102213166 /nfs/dbraw/zinc/21/31/66/1102213166.db2.gz BJRICDRATDYXAQ-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccco1 ZINC000532487314 1102428070 /nfs/dbraw/zinc/42/80/70/1102428070.db2.gz IIRUOIXYEHTZHK-MRXNPFEDSA-N 1 2 371.506 4.380 20 30 FIEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccco1 ZINC000532487314 1102428076 /nfs/dbraw/zinc/42/80/76/1102428076.db2.gz IIRUOIXYEHTZHK-MRXNPFEDSA-N 1 2 371.506 4.380 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583352 1102473226 /nfs/dbraw/zinc/47/32/26/1102473226.db2.gz UUKVHVNFGLYHDL-ZWKOTPCHSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000476583352 1102473239 /nfs/dbraw/zinc/47/32/39/1102473239.db2.gz UUKVHVNFGLYHDL-ZWKOTPCHSA-N 1 2 364.892 4.477 20 30 FIEDLO N#Cc1ccccc1/C=C/c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000612898962 1102483698 /nfs/dbraw/zinc/48/36/98/1102483698.db2.gz TVUTVVPJPKXAEI-CMDGGOBGSA-N 1 2 353.385 4.023 20 30 FIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000051372822 1102934773 /nfs/dbraw/zinc/93/47/73/1102934773.db2.gz UKEKXORPQSZXDS-LJQANCHMSA-N 1 2 351.494 4.223 20 30 FIEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000237499787 1103096104 /nfs/dbraw/zinc/09/61/04/1103096104.db2.gz BLSBALBRCIUUTP-KBPBESRZSA-N 1 2 366.396 4.017 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1OC ZINC000507342234 1103314123 /nfs/dbraw/zinc/31/41/23/1103314123.db2.gz RSMHEXDIYZFNTB-JOCHJYFZSA-N 1 2 371.452 4.363 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1OC ZINC000507342234 1103314142 /nfs/dbraw/zinc/31/41/42/1103314142.db2.gz RSMHEXDIYZFNTB-JOCHJYFZSA-N 1 2 371.452 4.363 20 30 FIEDLO N#Cc1c(Cl)nc(Cl)c(N(C(N)=[NH2+])c2ccc(F)cc2)c1Cl ZINC001167993813 1104451767 /nfs/dbraw/zinc/45/17/67/1104451767.db2.gz VGHHRBFXVOVUOG-UHFFFAOYSA-N 1 2 358.591 4.084 20 30 FIEDLO CCCc1cnc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328640283 1104522647 /nfs/dbraw/zinc/52/26/47/1104522647.db2.gz CLNQCEQJUHBQDU-AWEZNQCLSA-N 1 2 373.526 4.054 20 30 FIEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000328696074 1104538946 /nfs/dbraw/zinc/53/89/46/1104538946.db2.gz KRMHHPPIYINQLT-WBMJQRKESA-N 1 2 370.478 4.217 20 30 FIEDLO CN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CCCCCC1 ZINC000328767279 1104553440 /nfs/dbraw/zinc/55/34/40/1104553440.db2.gz HPBFAHUYATUHQB-LJQANCHMSA-N 1 2 374.529 4.039 20 30 FIEDLO CN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CCCCCC1 ZINC000328767279 1104553448 /nfs/dbraw/zinc/55/34/48/1104553448.db2.gz HPBFAHUYATUHQB-LJQANCHMSA-N 1 2 374.529 4.039 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000487405032 1105295279 /nfs/dbraw/zinc/29/52/79/1105295279.db2.gz MCDGRGMAHSCTTP-QZTJIDSGSA-N 1 2 364.493 4.189 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000487405032 1105295283 /nfs/dbraw/zinc/29/52/83/1105295283.db2.gz MCDGRGMAHSCTTP-QZTJIDSGSA-N 1 2 364.493 4.189 20 30 FIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000609784490 1106764236 /nfs/dbraw/zinc/76/42/36/1106764236.db2.gz XCFNJGCVAVVHPU-UHFFFAOYSA-N 1 2 358.445 4.042 20 30 FIEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cc(F)cc(F)c1 ZINC000444718433 1108130188 /nfs/dbraw/zinc/13/01/88/1108130188.db2.gz VOGSRWLCUUPFJL-UHFFFAOYSA-N 1 2 367.399 4.148 20 30 FIEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cc(F)cc(F)c1 ZINC000444718433 1108130194 /nfs/dbraw/zinc/13/01/94/1108130194.db2.gz VOGSRWLCUUPFJL-UHFFFAOYSA-N 1 2 367.399 4.148 20 30 FIEDLO COc1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1C#N ZINC000440617020 1108335260 /nfs/dbraw/zinc/33/52/60/1108335260.db2.gz DTPIRQXGYBGGIB-UHFFFAOYSA-N 1 2 358.445 4.379 20 30 FIEDLO C=CCOc1ccc(C[N@H+](CCOC)Cc2cncs2)cc1Cl ZINC000448360382 1109777459 /nfs/dbraw/zinc/77/74/59/1109777459.db2.gz BPWNNLNZDWNOOX-UHFFFAOYSA-N 1 2 352.887 4.010 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](CCOC)Cc2cncs2)cc1Cl ZINC000448360382 1109777463 /nfs/dbraw/zinc/77/74/63/1109777463.db2.gz BPWNNLNZDWNOOX-UHFFFAOYSA-N 1 2 352.887 4.010 20 30 FIEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(F)(F)F ZINC000538763532 1111290812 /nfs/dbraw/zinc/29/08/12/1111290812.db2.gz ISHTUGYVMVQBOA-CYBMUJFWSA-N 1 2 356.388 4.150 20 30 FIEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(F)(F)F ZINC000538763532 1111290815 /nfs/dbraw/zinc/29/08/15/1111290815.db2.gz ISHTUGYVMVQBOA-CYBMUJFWSA-N 1 2 356.388 4.150 20 30 FIEDLO COCC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480784245 1112596015 /nfs/dbraw/zinc/59/60/15/1112596015.db2.gz YZWDAFKRRDSVJP-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO COCC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480784245 1112596021 /nfs/dbraw/zinc/59/60/21/1112596021.db2.gz YZWDAFKRRDSVJP-UHFFFAOYSA-N 1 2 365.296 4.031 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483060177 1113431561 /nfs/dbraw/zinc/43/15/61/1113431561.db2.gz VDXRSEKEIULCOZ-PJIJBLCYSA-N 1 2 365.502 4.128 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483060177 1113431566 /nfs/dbraw/zinc/43/15/66/1113431566.db2.gz VDXRSEKEIULCOZ-PJIJBLCYSA-N 1 2 365.502 4.128 20 30 FIEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000174840005 1113819999 /nfs/dbraw/zinc/81/99/99/1113819999.db2.gz BFSOIIBWTRVXJW-INIZCTEOSA-N 1 2 351.288 4.152 20 30 FIEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000174840005 1113820004 /nfs/dbraw/zinc/82/00/04/1113820004.db2.gz BFSOIIBWTRVXJW-INIZCTEOSA-N 1 2 351.288 4.152 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000028176078 1113861224 /nfs/dbraw/zinc/86/12/24/1113861224.db2.gz QFACOTHEQUYFHA-QGZVFWFLSA-N 1 2 367.518 4.058 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000028176078 1113861226 /nfs/dbraw/zinc/86/12/26/1113861226.db2.gz QFACOTHEQUYFHA-QGZVFWFLSA-N 1 2 367.518 4.058 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000489450130 1114114605 /nfs/dbraw/zinc/11/46/05/1114114605.db2.gz POOOMXAVSGNSFC-RDJZCZTQSA-N 1 2 369.490 4.059 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000489450130 1114114607 /nfs/dbraw/zinc/11/46/07/1114114607.db2.gz POOOMXAVSGNSFC-RDJZCZTQSA-N 1 2 369.490 4.059 20 30 FIEDLO CC(=NNc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912828099 1114220154 /nfs/dbraw/zinc/22/01/54/1114220154.db2.gz NJPPAPGXBABCTI-UHFFFAOYSA-N 1 2 355.239 4.471 20 30 FIEDLO CCCCn1c(SCc2cccc(C#N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000029595085 1114333058 /nfs/dbraw/zinc/33/30/58/1114333058.db2.gz SKULWXSRLWMFJQ-KRWDZBQOSA-N 1 2 357.527 4.255 20 30 FIEDLO COC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000589990896 1114876497 /nfs/dbraw/zinc/87/64/97/1114876497.db2.gz KKAFBIKEOHHVKA-KRWDZBQOSA-N 1 2 352.331 4.193 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058205540 1115139220 /nfs/dbraw/zinc/13/92/20/1115139220.db2.gz NFCLPHCFNXRLNE-UHFFFAOYSA-N 1 2 356.520 4.239 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058205540 1115139222 /nfs/dbraw/zinc/13/92/22/1115139222.db2.gz NFCLPHCFNXRLNE-UHFFFAOYSA-N 1 2 356.520 4.239 20 30 FIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151058 1115205954 /nfs/dbraw/zinc/20/59/54/1115205954.db2.gz JVQJLODOOSIOAU-GTNSWQLSSA-N 1 2 366.248 4.060 20 30 FIEDLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151058 1115205957 /nfs/dbraw/zinc/20/59/57/1115205957.db2.gz JVQJLODOOSIOAU-GTNSWQLSSA-N 1 2 366.248 4.060 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000592504671 1115238391 /nfs/dbraw/zinc/23/83/91/1115238391.db2.gz DLPDSEWXRBVTRF-UHFFFAOYSA-N 1 2 359.214 4.176 20 30 FIEDLO C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(C#N)cc1 ZINC000046529325 1115413344 /nfs/dbraw/zinc/41/33/44/1115413344.db2.gz GAUOXHLPMPZLBR-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(C#N)cc1 ZINC000046529325 1115413346 /nfs/dbraw/zinc/41/33/46/1115413346.db2.gz GAUOXHLPMPZLBR-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594735178 1115479648 /nfs/dbraw/zinc/47/96/48/1115479648.db2.gz NIDWUJYTTVSSIC-UHFFFAOYSA-N 1 2 374.488 4.052 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503848 1115539522 /nfs/dbraw/zinc/53/95/22/1115539522.db2.gz WXYOJQPSMBLRRU-HNNXBMFYSA-N 1 2 356.267 4.095 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503848 1115539525 /nfs/dbraw/zinc/53/95/25/1115539525.db2.gz WXYOJQPSMBLRRU-HNNXBMFYSA-N 1 2 356.267 4.095 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000597089592 1115639966 /nfs/dbraw/zinc/63/99/66/1115639966.db2.gz ZUKDMKJCSHJZNV-FQEVSTJZSA-N 1 2 352.865 4.469 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000597089592 1115639967 /nfs/dbraw/zinc/63/99/67/1115639967.db2.gz ZUKDMKJCSHJZNV-FQEVSTJZSA-N 1 2 352.865 4.469 20 30 FIEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCc1ccc(Cl)cc1 ZINC000597190940 1115645706 /nfs/dbraw/zinc/64/57/06/1115645706.db2.gz CNZUMFCHLLQRQU-UHFFFAOYSA-N 1 2 356.853 4.273 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228564 1115649436 /nfs/dbraw/zinc/64/94/36/1115649436.db2.gz CYGJYGJPCNBQAJ-OAQYLSRUSA-N 1 2 352.482 4.049 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228564 1115649438 /nfs/dbraw/zinc/64/94/38/1115649438.db2.gz CYGJYGJPCNBQAJ-OAQYLSRUSA-N 1 2 352.482 4.049 20 30 FIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000597228225 1115649802 /nfs/dbraw/zinc/64/98/02/1115649802.db2.gz CAMZDNHEQBMEKR-FQEVSTJZSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000597228225 1115649805 /nfs/dbraw/zinc/64/98/05/1115649805.db2.gz CAMZDNHEQBMEKR-FQEVSTJZSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000597231704 1115650233 /nfs/dbraw/zinc/65/02/33/1115650233.db2.gz ZYYLDAPQKMDUSY-NRFANRHFSA-N 1 2 362.502 4.395 20 30 FIEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000597231704 1115650235 /nfs/dbraw/zinc/65/02/35/1115650235.db2.gz ZYYLDAPQKMDUSY-NRFANRHFSA-N 1 2 362.502 4.395 20 30 FIEDLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000603632206 1115800466 /nfs/dbraw/zinc/80/04/66/1115800466.db2.gz REJYRYTYUCXOHN-NSHDSACASA-N 1 2 372.350 4.077 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)ccc1Cl ZINC000599622463 1115831130 /nfs/dbraw/zinc/83/11/30/1115831130.db2.gz IYYGYPSETVDKQH-AWEZNQCLSA-N 1 2 369.843 4.015 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)ccc1Cl ZINC000599622463 1115831132 /nfs/dbraw/zinc/83/11/32/1115831132.db2.gz IYYGYPSETVDKQH-AWEZNQCLSA-N 1 2 369.843 4.015 20 30 FIEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676408 1115835522 /nfs/dbraw/zinc/83/55/22/1115835522.db2.gz CQULAYNUHKSJRP-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676408 1115835524 /nfs/dbraw/zinc/83/55/24/1115835524.db2.gz CQULAYNUHKSJRP-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594039106 1115974286 /nfs/dbraw/zinc/97/42/86/1115974286.db2.gz UQOZQEFSHMDCQN-UHFFFAOYSA-N 1 2 350.315 4.375 20 30 FIEDLO C=CCCCCCN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000606916202 1115983407 /nfs/dbraw/zinc/98/34/07/1115983407.db2.gz AQNZYCLOTOOHPF-UHFFFAOYSA-N 1 2 350.532 4.339 20 30 FIEDLO C=CCCCCCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000606946902 1115988697 /nfs/dbraw/zinc/98/86/97/1115988697.db2.gz PUIQNFXHDPRQRM-GOSISDBHSA-N 1 2 359.514 4.290 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300796 1116037437 /nfs/dbraw/zinc/03/74/37/1116037437.db2.gz PGHWYFDEUJSAHY-UHFFFAOYSA-N 1 2 355.441 4.338 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300796 1116037440 /nfs/dbraw/zinc/03/74/40/1116037440.db2.gz PGHWYFDEUJSAHY-UHFFFAOYSA-N 1 2 355.441 4.338 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000063300881 1116038614 /nfs/dbraw/zinc/03/86/14/1116038614.db2.gz APYVOIRFHXQJLN-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000063300881 1116038615 /nfs/dbraw/zinc/03/86/15/1116038615.db2.gz APYVOIRFHXQJLN-UHFFFAOYSA-N 1 2 373.378 4.204 20 30 FIEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000173863938 1116093367 /nfs/dbraw/zinc/09/33/67/1116093367.db2.gz XGFWUVUUPIVSSA-MRXNPFEDSA-N 1 2 353.466 4.370 20 30 FIEDLO Fc1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000535072847 1116267342 /nfs/dbraw/zinc/26/73/42/1116267342.db2.gz HUEUQJYZPZJENZ-ZDUSSCGKSA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000535072847 1116267343 /nfs/dbraw/zinc/26/73/43/1116267343.db2.gz HUEUQJYZPZJENZ-ZDUSSCGKSA-N 1 2 359.285 4.388 20 30 FIEDLO COc1cc(C[N@H+](CCC#N)C(C)C)cc(OC)c1OCc1ccccc1 ZINC000535077452 1116268010 /nfs/dbraw/zinc/26/80/10/1116268010.db2.gz YZDWOTVQADQXIY-UHFFFAOYSA-N 1 2 368.477 4.407 20 30 FIEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)cc(OC)c1OCc1ccccc1 ZINC000535077452 1116268012 /nfs/dbraw/zinc/26/80/12/1116268012.db2.gz YZDWOTVQADQXIY-UHFFFAOYSA-N 1 2 368.477 4.407 20 30 FIEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)C1=O ZINC000539710696 1116368882 /nfs/dbraw/zinc/36/88/82/1116368882.db2.gz WUHFOLMEIDKUKQ-PMACEKPBSA-N 1 2 372.871 4.253 20 30 FIEDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000540364908 1118015960 /nfs/dbraw/zinc/01/59/60/1118015960.db2.gz DSKDWAKNFLXSHZ-OAHLLOKOSA-N 1 2 362.433 4.246 20 30 FIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(CC#N)CC1 ZINC000541019077 1118356233 /nfs/dbraw/zinc/35/62/33/1118356233.db2.gz FITKSRKKXWZYBZ-QWHCGFSZSA-N 1 2 370.522 4.208 20 30 FIEDLO CCOc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000541088065 1118378632 /nfs/dbraw/zinc/37/86/32/1118378632.db2.gz UQJZVRDHDCCNTM-CQSZACIVSA-N 1 2 364.474 4.326 20 30 FIEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723824 1118671651 /nfs/dbraw/zinc/67/16/51/1118671651.db2.gz CYZIKSSTMUHONJ-BFUOFWGJSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723824 1118671654 /nfs/dbraw/zinc/67/16/54/1118671654.db2.gz CYZIKSSTMUHONJ-BFUOFWGJSA-N 1 2 371.843 4.372 20 30 FIEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C)c(C#N)c3nc4ccccc4n31)CCC2 ZINC000443901442 1119061315 /nfs/dbraw/zinc/06/13/15/1119061315.db2.gz YKDKREVGSSLKPR-INIZCTEOSA-N 1 2 370.460 4.162 20 30 FIEDLO Cn1cc(CNc2ccc([NH+]3CCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272095251 1119174939 /nfs/dbraw/zinc/17/49/39/1119174939.db2.gz FKXAYGLUSPAVQU-UHFFFAOYSA-N 1 2 357.461 4.171 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001168580143 1121324748 /nfs/dbraw/zinc/32/47/48/1121324748.db2.gz MCDYUWFDEXWTHR-UHFFFAOYSA-N 1 2 365.227 4.181 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001168580143 1121324754 /nfs/dbraw/zinc/32/47/54/1121324754.db2.gz MCDYUWFDEXWTHR-UHFFFAOYSA-N 1 2 365.227 4.181 20 30 FIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332267 1121334839 /nfs/dbraw/zinc/33/48/39/1121334839.db2.gz KIHCXYXATOIXFN-KRWDZBQOSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763332267 1121334852 /nfs/dbraw/zinc/33/48/52/1121334852.db2.gz KIHCXYXATOIXFN-KRWDZBQOSA-N 1 2 354.523 4.265 20 30 FIEDLO Clc1ccccc1N[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000915935941 1121355078 /nfs/dbraw/zinc/35/50/78/1121355078.db2.gz ZWFBAKMIWYFCKH-UHFFFAOYSA-N 1 2 350.249 4.276 20 30 FIEDLO FC(F)(F)c1cnc(N=NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000915938623 1121355280 /nfs/dbraw/zinc/35/52/80/1121355280.db2.gz BYUHOIIKFLTZNN-UHFFFAOYSA-N 1 2 369.778 4.217 20 30 FIEDLO CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916285346 1121462630 /nfs/dbraw/zinc/46/26/30/1121462630.db2.gz GSFRXABVXHMIMP-UHFFFAOYSA-N 1 2 369.881 4.236 20 30 FIEDLO CCCCC1N=NC(=S)N1[NH+]=Cc1ccc(N(CCC)CCC)cc1 ZINC000916302594 1121468094 /nfs/dbraw/zinc/46/80/94/1121468094.db2.gz XGSSRJKOLRWROZ-UHFFFAOYSA-N 1 2 359.543 4.418 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000108355500 1121531143 /nfs/dbraw/zinc/53/11/43/1121531143.db2.gz YDMAPDDXNDGEAK-MRXNPFEDSA-N 1 2 365.502 4.078 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000108355500 1121531151 /nfs/dbraw/zinc/53/11/51/1121531151.db2.gz YDMAPDDXNDGEAK-MRXNPFEDSA-N 1 2 365.502 4.078 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000108355496 1121531350 /nfs/dbraw/zinc/53/13/50/1121531350.db2.gz YDMAPDDXNDGEAK-INIZCTEOSA-N 1 2 365.502 4.078 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000108355496 1121531354 /nfs/dbraw/zinc/53/13/54/1121531354.db2.gz YDMAPDDXNDGEAK-INIZCTEOSA-N 1 2 365.502 4.078 20 30 FIEDLO C[N@H+](Cc1cc(Br)cs1)Cc1cn2ccccc2c1C#N ZINC000107699001 1122314389 /nfs/dbraw/zinc/31/43/89/1122314389.db2.gz GLESYBFSTZACMX-UHFFFAOYSA-N 1 2 360.280 4.267 20 30 FIEDLO C[N@@H+](Cc1cc(Br)cs1)Cc1cn2ccccc2c1C#N ZINC000107699001 1122314398 /nfs/dbraw/zinc/31/43/98/1122314398.db2.gz GLESYBFSTZACMX-UHFFFAOYSA-N 1 2 360.280 4.267 20 30 FIEDLO C=C(Br)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000918715462 1122759551 /nfs/dbraw/zinc/75/95/51/1122759551.db2.gz JTZREBVWEKHCGF-LBPRGKRZSA-N 1 2 361.353 4.092 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2nc([C@H](C)OC)no2)C(C)(C)C)cc1 ZINC000131829160 1123190600 /nfs/dbraw/zinc/19/06/00/1123190600.db2.gz RTZWQQIFAWYUCW-HNNXBMFYSA-N 1 2 359.470 4.143 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2nc([C@H](C)OC)no2)C(C)(C)C)cc1 ZINC000131829160 1123190603 /nfs/dbraw/zinc/19/06/03/1123190603.db2.gz RTZWQQIFAWYUCW-HNNXBMFYSA-N 1 2 359.470 4.143 20 30 FIEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1=S ZINC000919954875 1123282812 /nfs/dbraw/zinc/28/28/12/1123282812.db2.gz ROLOTYZTCMQYSD-INIZCTEOSA-N 1 2 362.930 4.227 20 30 FIEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1=S ZINC000919954875 1123282816 /nfs/dbraw/zinc/28/28/16/1123282816.db2.gz ROLOTYZTCMQYSD-INIZCTEOSA-N 1 2 362.930 4.227 20 30 FIEDLO Cc1cc(C(N)=[NH+]OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1F ZINC000920401274 1123452030 /nfs/dbraw/zinc/45/20/30/1123452030.db2.gz JORAVEADXBFEGK-UHFFFAOYSA-N 1 2 359.788 4.280 20 30 FIEDLO N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000609630141 1123782335 /nfs/dbraw/zinc/78/23/35/1123782335.db2.gz LCWWCSKKGOBAQQ-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245542481 1124114861 /nfs/dbraw/zinc/11/48/61/1124114861.db2.gz PVWNIVAVSDTAGW-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245542481 1124114864 /nfs/dbraw/zinc/11/48/64/1124114864.db2.gz PVWNIVAVSDTAGW-HZPDHXFCSA-N 1 2 368.506 4.107 20 30 FIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCCCCNc1cccc[nH+]1 ZINC000301442954 1124231063 /nfs/dbraw/zinc/23/10/63/1124231063.db2.gz YMOJJFCXQFERPJ-UHFFFAOYSA-N 1 2 351.841 4.459 20 30 FIEDLO N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000110676587 1124769989 /nfs/dbraw/zinc/76/99/89/1124769989.db2.gz BCIHFKQVYVKPSF-UHFFFAOYSA-N 1 2 360.417 4.136 20 30 FIEDLO COCC[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000063753506 1124948164 /nfs/dbraw/zinc/94/81/64/1124948164.db2.gz FZCNLFQRXKBJOU-UHFFFAOYSA-N 1 2 369.515 4.392 20 30 FIEDLO COCC[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C#N)cc1 ZINC000063753506 1124948168 /nfs/dbraw/zinc/94/81/68/1124948168.db2.gz FZCNLFQRXKBJOU-UHFFFAOYSA-N 1 2 369.515 4.392 20 30 FIEDLO C=CCCCCNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001128274196 1125178522 /nfs/dbraw/zinc/17/85/22/1125178522.db2.gz INDIBFXAMGYYNP-QGZVFWFLSA-N 1 2 365.315 4.059 20 30 FIEDLO CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000601809848 567845514 /nfs/dbraw/zinc/84/55/14/567845514.db2.gz RLEHEZXFFBKDIB-PBHICJAKSA-N 1 2 355.825 4.292 20 30 FIEDLO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000602630705 568000882 /nfs/dbraw/zinc/00/08/82/568000882.db2.gz ALPXQMBWKLACHA-QGZVFWFLSA-N 1 2 364.493 4.397 20 30 FIEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000602630703 568000893 /nfs/dbraw/zinc/00/08/93/568000893.db2.gz ALPXQMBWKLACHA-KRWDZBQOSA-N 1 2 364.493 4.397 20 30 FIEDLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCC[C@H]1C#N ZINC000602992965 568040413 /nfs/dbraw/zinc/04/04/13/568040413.db2.gz LNZLTKIAOBDIEY-LPHOPBHVSA-N 1 2 363.465 4.042 20 30 FIEDLO Cc1cccc2[nH+]c(CNc3ccc(Oc4ccnc(C#N)c4)cc3)cn21 ZINC000568703101 568129599 /nfs/dbraw/zinc/12/95/99/568129599.db2.gz LALOFKVOOZXSEI-UHFFFAOYSA-N 1 2 355.401 4.314 20 30 FIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(C2CCCC2)n1 ZINC000584683970 568185809 /nfs/dbraw/zinc/18/58/09/568185809.db2.gz MHNGPYKAFZJUDJ-UHFFFAOYSA-N 1 2 355.507 4.321 20 30 FIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(C2CCCC2)n1 ZINC000584683970 568185810 /nfs/dbraw/zinc/18/58/10/568185810.db2.gz MHNGPYKAFZJUDJ-UHFFFAOYSA-N 1 2 355.507 4.321 20 30 FIEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000568780824 568210493 /nfs/dbraw/zinc/21/04/93/568210493.db2.gz BFNCSWTURYQYDM-UHFFFAOYSA-N 1 2 373.456 4.074 20 30 FIEDLO C[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cc2ccccc2o1 ZINC000330324116 568240026 /nfs/dbraw/zinc/24/00/26/568240026.db2.gz IDSFTPZRGWTZIB-OHNRDTAOSA-N 1 2 353.422 4.147 20 30 FIEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068490 568270382 /nfs/dbraw/zinc/27/03/82/568270382.db2.gz OWCRQHAHHGPRDU-VLIAUNLRSA-N 1 2 369.415 4.025 20 30 FIEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569068490 568270383 /nfs/dbraw/zinc/27/03/83/568270383.db2.gz OWCRQHAHHGPRDU-VLIAUNLRSA-N 1 2 369.415 4.025 20 30 FIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccccc2)nc1 ZINC000604488023 568302688 /nfs/dbraw/zinc/30/26/88/568302688.db2.gz QLDMKQGZUBNGKV-UHFFFAOYSA-N 1 2 360.417 4.240 20 30 FIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccccc2)nc1 ZINC000604488023 568302689 /nfs/dbraw/zinc/30/26/89/568302689.db2.gz QLDMKQGZUBNGKV-UHFFFAOYSA-N 1 2 360.417 4.240 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266088 568489641 /nfs/dbraw/zinc/48/96/41/568489641.db2.gz JGTZGWIICNDQDH-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266088 568489643 /nfs/dbraw/zinc/48/96/43/568489643.db2.gz JGTZGWIICNDQDH-LBPRGKRZSA-N 1 2 362.260 4.324 20 30 FIEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)ccc1Br ZINC000619532038 1125608609 /nfs/dbraw/zinc/60/86/09/1125608609.db2.gz FLACMCPPPKGGKW-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)ccc1Br ZINC000619532038 1125608615 /nfs/dbraw/zinc/60/86/15/1125608615.db2.gz FLACMCPPPKGGKW-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000619674350 1125652065 /nfs/dbraw/zinc/65/20/65/1125652065.db2.gz CLNNPTYIMVFZQE-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000619674350 1125652067 /nfs/dbraw/zinc/65/20/67/1125652067.db2.gz CLNNPTYIMVFZQE-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000619792465 1125706683 /nfs/dbraw/zinc/70/66/83/1125706683.db2.gz ZFLVITWHOAFEJG-OAHLLOKOSA-N 1 2 351.841 4.106 20 30 FIEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc(Br)c1F ZINC001139874884 1079522132 /nfs/dbraw/zinc/52/21/32/1079522132.db2.gz ADKWXBBVMISSNL-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc(Br)c1F ZINC001139874884 1079522140 /nfs/dbraw/zinc/52/21/40/1079522140.db2.gz ADKWXBBVMISSNL-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C=CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)Cc1cccc(C#N)c1 ZINC000430241201 1080066423 /nfs/dbraw/zinc/06/64/23/1080066423.db2.gz GBLHMOFWYWXUHB-UHFFFAOYSA-N 1 2 370.456 4.212 20 30 FIEDLO C=CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)Cc1cccc(C#N)c1 ZINC000430241201 1080066432 /nfs/dbraw/zinc/06/64/32/1080066432.db2.gz GBLHMOFWYWXUHB-UHFFFAOYSA-N 1 2 370.456 4.212 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748081664 1080111444 /nfs/dbraw/zinc/11/14/44/1080111444.db2.gz BIOKIVJMYQIUBG-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748081664 1080111454 /nfs/dbraw/zinc/11/14/54/1080111454.db2.gz BIOKIVJMYQIUBG-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001143376693 1080350136 /nfs/dbraw/zinc/35/01/36/1080350136.db2.gz FMKCUYNGUVUXCM-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001143376693 1080350142 /nfs/dbraw/zinc/35/01/42/1080350142.db2.gz FMKCUYNGUVUXCM-INIZCTEOSA-N 1 2 374.843 4.403 20 30 FIEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(Cl)cc1 ZINC000180431244 1080498909 /nfs/dbraw/zinc/49/89/09/1080498909.db2.gz YQKHYSZCJURSPS-UHFFFAOYSA-N 1 2 359.886 4.163 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176960026 1081173053 /nfs/dbraw/zinc/17/30/53/1081173053.db2.gz GWKCHKPQZSMPSU-HXUWFJFHSA-N 1 2 358.470 4.386 20 30 FIEDLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610343214 1081499147 /nfs/dbraw/zinc/49/91/47/1081499147.db2.gz BCFHLUYTZHLRKG-NSHDSACASA-N 1 2 372.350 4.077 20 30 FIEDLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610343206 1081499270 /nfs/dbraw/zinc/49/92/70/1081499270.db2.gz BCFHLUYTZHLRKG-LLVKDONJSA-N 1 2 372.350 4.077 20 30 FIEDLO O=C(NC1CCC(c2ccccc2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328715851 1081877859 /nfs/dbraw/zinc/87/78/59/1081877859.db2.gz SZBCUQRZRVRKIH-UHFFFAOYSA-N 1 2 352.482 4.230 20 30 FIEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000121207700 1081917597 /nfs/dbraw/zinc/91/75/97/1081917597.db2.gz HOXRVWLXEGXDDW-QGZVFWFLSA-N 1 2 359.813 4.046 20 30 FIEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000121207700 1081917599 /nfs/dbraw/zinc/91/75/99/1081917599.db2.gz HOXRVWLXEGXDDW-QGZVFWFLSA-N 1 2 359.813 4.046 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000177937272 1082359523 /nfs/dbraw/zinc/35/95/23/1082359523.db2.gz RDFKWHCFEIMRSA-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000177937272 1082359527 /nfs/dbraw/zinc/35/95/27/1082359527.db2.gz RDFKWHCFEIMRSA-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121318113 1082528614 /nfs/dbraw/zinc/52/86/14/1082528614.db2.gz AYRVVCRDZJECRE-JOCHJYFZSA-N 1 2 371.440 4.036 20 30 FIEDLO O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328913327 1083132963 /nfs/dbraw/zinc/13/29/63/1083132963.db2.gz HZRISMJEXPNPIF-MRXNPFEDSA-N 1 2 364.474 4.346 20 30 FIEDLO CCc1cnc(C[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000093807705 1083496943 /nfs/dbraw/zinc/49/69/43/1083496943.db2.gz KSKZFTDKVXKQHJ-UHFFFAOYSA-N 1 2 359.495 4.029 20 30 FIEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000093807705 1083496950 /nfs/dbraw/zinc/49/69/50/1083496950.db2.gz KSKZFTDKVXKQHJ-UHFFFAOYSA-N 1 2 359.495 4.029 20 30 FIEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Cl)c1 ZINC000179600208 1083574039 /nfs/dbraw/zinc/57/40/39/1083574039.db2.gz VYGXTFRTNJDIBZ-UHFFFAOYSA-N 1 2 352.825 4.287 20 30 FIEDLO C[C@]1(C#N)CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000612406807 1083780738 /nfs/dbraw/zinc/78/07/38/1083780738.db2.gz UMNOLSSVJHNGKW-HSZRJFAPSA-N 1 2 371.488 4.119 20 30 FIEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000612406807 1083780747 /nfs/dbraw/zinc/78/07/47/1083780747.db2.gz UMNOLSSVJHNGKW-HSZRJFAPSA-N 1 2 371.488 4.119 20 30 FIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848753 1083791141 /nfs/dbraw/zinc/79/11/41/1083791141.db2.gz VMJANHZBCXATNL-IERDGZPVSA-N 1 2 368.550 4.056 20 30 FIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848753 1083791151 /nfs/dbraw/zinc/79/11/51/1083791151.db2.gz VMJANHZBCXATNL-IERDGZPVSA-N 1 2 368.550 4.056 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711512 1084108886 /nfs/dbraw/zinc/10/88/86/1084108886.db2.gz CSXQZZPWPJPWDP-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711512 1084108897 /nfs/dbraw/zinc/10/88/97/1084108897.db2.gz CSXQZZPWPJPWDP-LIRRHRJNSA-N 1 2 358.388 4.294 20 30 FIEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000127771210 1085081503 /nfs/dbraw/zinc/08/15/03/1085081503.db2.gz WSNBSKMRIHOAEZ-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1cccs1 ZINC000661150119 1085419953 /nfs/dbraw/zinc/41/99/53/1085419953.db2.gz IIAPQGONDPFYND-KRWDZBQOSA-N 1 2 355.507 4.023 20 30 FIEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1cccs1 ZINC000661150119 1085419958 /nfs/dbraw/zinc/41/99/58/1085419958.db2.gz IIAPQGONDPFYND-KRWDZBQOSA-N 1 2 355.507 4.023 20 30 FIEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135216269 1085467741 /nfs/dbraw/zinc/46/77/41/1085467741.db2.gz DVZVSPJHNOQKBK-WBVHZDCISA-N 1 2 362.901 4.069 20 30 FIEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000135216269 1085467745 /nfs/dbraw/zinc/46/77/45/1085467745.db2.gz DVZVSPJHNOQKBK-WBVHZDCISA-N 1 2 362.901 4.069 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H](C)COC ZINC000661244848 1085480496 /nfs/dbraw/zinc/48/04/96/1085480496.db2.gz YVLRPFAOZBWQSN-JTQLQIEISA-N 1 2 365.688 4.108 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H](C)COC ZINC000661244848 1085480504 /nfs/dbraw/zinc/48/05/04/1085480504.db2.gz YVLRPFAOZBWQSN-JTQLQIEISA-N 1 2 365.688 4.108 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1cccs1 ZINC000097474175 1085562506 /nfs/dbraw/zinc/56/25/06/1085562506.db2.gz ICPRWSSXJIYGHJ-AWEZNQCLSA-N 1 2 364.461 4.234 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1cccs1 ZINC000097474175 1085562512 /nfs/dbraw/zinc/56/25/12/1085562512.db2.gz ICPRWSSXJIYGHJ-AWEZNQCLSA-N 1 2 364.461 4.234 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841783 1086212768 /nfs/dbraw/zinc/21/27/68/1086212768.db2.gz ULSLKZNYSYVSJG-HSZRJFAPSA-N 1 2 374.440 4.304 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841783 1086212779 /nfs/dbraw/zinc/21/27/79/1086212779.db2.gz ULSLKZNYSYVSJG-HSZRJFAPSA-N 1 2 374.440 4.304 20 30 FIEDLO CC(C)(C#N)c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000583228791 1086438476 /nfs/dbraw/zinc/43/84/76/1086438476.db2.gz OYSQDRQZTYJNRZ-UHFFFAOYSA-N 1 2 355.401 4.390 20 30 FIEDLO C[N@H+](Cc1ccc(Br)s1)Cc1cn2ccccc2c1C#N ZINC000105509254 1086562321 /nfs/dbraw/zinc/56/23/21/1086562321.db2.gz PEMQOWCKDDTYQF-UHFFFAOYSA-N 1 2 360.280 4.267 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)s1)Cc1cn2ccccc2c1C#N ZINC000105509254 1086562330 /nfs/dbraw/zinc/56/23/30/1086562330.db2.gz PEMQOWCKDDTYQF-UHFFFAOYSA-N 1 2 360.280 4.267 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000125899822 1086612502 /nfs/dbraw/zinc/61/25/02/1086612502.db2.gz BGRYVAVNMYLYKR-JOCHJYFZSA-N 1 2 370.431 4.463 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1O ZINC000245789431 1086845224 /nfs/dbraw/zinc/84/52/24/1086845224.db2.gz VWMBLHVQVNFLAL-LIRRHRJNSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1O ZINC000245789431 1086845235 /nfs/dbraw/zinc/84/52/35/1086845235.db2.gz VWMBLHVQVNFLAL-LIRRHRJNSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)nn1 ZINC000424170843 1087825863 /nfs/dbraw/zinc/82/58/63/1087825863.db2.gz KXAUYYYTGPWCPY-UHFFFAOYSA-N 1 2 350.466 4.311 20 30 FIEDLO Cc1sc(NC(=O)C[NH+]2CCC(F)(c3ccccc3)CC2)c(C#N)c1C ZINC000434491647 1088676879 /nfs/dbraw/zinc/67/68/79/1088676879.db2.gz CVBWVMAQERSRPE-UHFFFAOYSA-N 1 2 371.481 4.136 20 30 FIEDLO CC(C)(CCC#N)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376643708 1088809156 /nfs/dbraw/zinc/80/91/56/1088809156.db2.gz YDIYTRLSGAYVLP-UHFFFAOYSA-N 1 2 363.465 4.053 20 30 FIEDLO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(Cl)c1O ZINC000376835172 1088935968 /nfs/dbraw/zinc/93/59/68/1088935968.db2.gz SBZNEKHDVQOPPQ-SFHVURJKSA-N 1 2 370.884 4.022 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c(C#N)c1C ZINC000434714843 1088957869 /nfs/dbraw/zinc/95/78/69/1088957869.db2.gz TYIJROSCDUALNF-INIZCTEOSA-N 1 2 371.868 4.067 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c(C#N)c1C ZINC000434714843 1088957871 /nfs/dbraw/zinc/95/78/71/1088957871.db2.gz TYIJROSCDUALNF-INIZCTEOSA-N 1 2 371.868 4.067 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434906930 1089128985 /nfs/dbraw/zinc/12/89/85/1089128985.db2.gz PKXRVIQDRYHZAB-HNNXBMFYSA-N 1 2 365.864 4.328 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434906930 1089128992 /nfs/dbraw/zinc/12/89/92/1089128992.db2.gz PKXRVIQDRYHZAB-HNNXBMFYSA-N 1 2 365.864 4.328 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2F)CC(C)C)c(C#N)c1C ZINC000434937332 1089151772 /nfs/dbraw/zinc/15/17/72/1089151772.db2.gz JMGLCHXXASFVIW-UHFFFAOYSA-N 1 2 357.429 4.004 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2F)CC(C)C)c(C#N)c1C ZINC000434937332 1089151781 /nfs/dbraw/zinc/15/17/81/1089151781.db2.gz JMGLCHXXASFVIW-UHFFFAOYSA-N 1 2 357.429 4.004 20 30 FIEDLO C=CCC[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000435106394 1089290541 /nfs/dbraw/zinc/29/05/41/1089290541.db2.gz AXKFITOOYUNZRW-OAQYLSRUSA-N 1 2 360.461 4.379 20 30 FIEDLO N#Cc1ccc(-c2cccc(C[NH2+]Cc3nnc(C4CC4)s3)c2)s1 ZINC000892989457 1089577273 /nfs/dbraw/zinc/57/72/73/1089577273.db2.gz QABGTWNFMOXSPG-UHFFFAOYSA-N 1 2 352.488 4.305 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000664504295 1089954568 /nfs/dbraw/zinc/95/45/68/1089954568.db2.gz FFUJMGSGBRBQGA-SVFBPWRDSA-N 1 2 364.493 4.134 20 30 FIEDLO N#CCCC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000431862804 1090317263 /nfs/dbraw/zinc/31/72/63/1090317263.db2.gz ZCCYLLHYMLDZPM-FQEVSTJZSA-N 1 2 373.460 4.107 20 30 FIEDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1C(F)(F)F ZINC000190211395 1090406332 /nfs/dbraw/zinc/40/63/32/1090406332.db2.gz YSOMSBXVLYPLGR-CQSZACIVSA-N 1 2 364.371 4.019 20 30 FIEDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1C(F)(F)F ZINC000190211395 1090406337 /nfs/dbraw/zinc/40/63/37/1090406337.db2.gz YSOMSBXVLYPLGR-CQSZACIVSA-N 1 2 364.371 4.019 20 30 FIEDLO N#CC1(CC[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000417158970 1090702790 /nfs/dbraw/zinc/70/27/90/1090702790.db2.gz FVGFUADVKQUTGL-VWLOTQADSA-N 1 2 355.507 4.044 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1sc(C)nc1C(F)(F)F ZINC000512213505 1091917813 /nfs/dbraw/zinc/91/78/13/1091917813.db2.gz RYFRAPQUYXKNPA-UHFFFAOYSA-N 1 2 360.401 4.134 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1sc(C)nc1C(F)(F)F ZINC000512213505 1091917816 /nfs/dbraw/zinc/91/78/16/1091917816.db2.gz RYFRAPQUYXKNPA-UHFFFAOYSA-N 1 2 360.401 4.134 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1cccs1 ZINC000019540404 1092437166 /nfs/dbraw/zinc/43/71/66/1092437166.db2.gz YLQUIQBOUYOYAW-UHFFFAOYSA-N 1 2 364.898 4.345 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1cccs1 ZINC000019540404 1092437168 /nfs/dbraw/zinc/43/71/68/1092437168.db2.gz YLQUIQBOUYOYAW-UHFFFAOYSA-N 1 2 364.898 4.345 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000512506516 1092597648 /nfs/dbraw/zinc/59/76/48/1092597648.db2.gz MUHNMJKRGSAZPO-MRXNPFEDSA-N 1 2 359.470 4.291 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000512506516 1092597657 /nfs/dbraw/zinc/59/76/57/1092597657.db2.gz MUHNMJKRGSAZPO-MRXNPFEDSA-N 1 2 359.470 4.291 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000512505671 1092597828 /nfs/dbraw/zinc/59/78/28/1092597828.db2.gz ADOVDTQWGISRHP-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000512505671 1092597836 /nfs/dbraw/zinc/59/78/36/1092597836.db2.gz ADOVDTQWGISRHP-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512511297 1092613479 /nfs/dbraw/zinc/61/34/79/1092613479.db2.gz FPMANWCKUVFCEV-QGZVFWFLSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000512511297 1092613485 /nfs/dbraw/zinc/61/34/85/1092613485.db2.gz FPMANWCKUVFCEV-QGZVFWFLSA-N 1 2 372.488 4.317 20 30 FIEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)n1 ZINC000411628426 1093396367 /nfs/dbraw/zinc/39/63/67/1093396367.db2.gz UGQGQHYYPQNTOQ-MRXNPFEDSA-N 1 2 361.511 4.321 20 30 FIEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)n1 ZINC000411628426 1093396376 /nfs/dbraw/zinc/39/63/76/1093396376.db2.gz UGQGQHYYPQNTOQ-MRXNPFEDSA-N 1 2 361.511 4.321 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056222 1094725608 /nfs/dbraw/zinc/72/56/08/1094725608.db2.gz SOKAIUJUVVSREU-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056222 1094725621 /nfs/dbraw/zinc/72/56/21/1094725621.db2.gz SOKAIUJUVVSREU-ONGXEEELSA-N 1 2 369.252 4.151 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c(F)c1F ZINC000430039910 1094808507 /nfs/dbraw/zinc/80/85/07/1094808507.db2.gz NOUPVXZTNVUKHY-UHFFFAOYSA-N 1 2 353.237 4.431 20 30 FIEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001141907941 1094928364 /nfs/dbraw/zinc/92/83/64/1094928364.db2.gz UPFCMTCWWIOMCI-UHFFFAOYSA-N 1 2 371.278 4.406 20 30 FIEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](C)c2c(C)cccc2C)C1 ZINC000329494827 1094937325 /nfs/dbraw/zinc/93/73/25/1094937325.db2.gz FMUJKCLILYTIRH-ZWKOTPCHSA-N 1 2 354.498 4.374 20 30 FIEDLO C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000329619627 1095007972 /nfs/dbraw/zinc/00/79/72/1095007972.db2.gz MHJJLIUSWBYNRH-HZPDHXFCSA-N 1 2 352.482 4.410 20 30 FIEDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329626682 1095018879 /nfs/dbraw/zinc/01/88/79/1095018879.db2.gz GSRCSMQEYIEFPE-UHFFFAOYSA-N 1 2 368.433 4.358 20 30 FIEDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329626682 1095018894 /nfs/dbraw/zinc/01/88/94/1095018894.db2.gz GSRCSMQEYIEFPE-UHFFFAOYSA-N 1 2 368.433 4.358 20 30 FIEDLO C[C@@H]1[C@H](C)SCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329630248 1095030621 /nfs/dbraw/zinc/03/06/21/1095030621.db2.gz QRSNKKYLWDAHQA-CABCVRRESA-N 1 2 370.522 4.258 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000329711383 1095198583 /nfs/dbraw/zinc/19/85/83/1095198583.db2.gz OMPZZDPNHDRVAB-GSEOLPGOSA-N 1 2 352.482 4.016 20 30 FIEDLO Cc1c([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cnn1-c1ccc(F)cc1 ZINC000428313044 1095221347 /nfs/dbraw/zinc/22/13/47/1095221347.db2.gz PKAGRGLGBVVQLM-CYBMUJFWSA-N 1 2 352.388 4.181 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329836352 1095285775 /nfs/dbraw/zinc/28/57/75/1095285775.db2.gz VBBBJQBYXXMDFN-HHXXYDBFSA-N 1 2 352.482 4.217 20 30 FIEDLO O=C(NC1CCC(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)C1CC1 ZINC000329963100 1095333250 /nfs/dbraw/zinc/33/32/50/1095333250.db2.gz PPSQZJHYCSMHGZ-UHFFFAOYSA-N 1 2 370.497 4.064 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099201 1095379234 /nfs/dbraw/zinc/37/92/34/1095379234.db2.gz CSXVEWPWXPYHLP-SPEDKVCISA-N 1 2 374.525 4.365 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099201 1095379248 /nfs/dbraw/zinc/37/92/48/1095379248.db2.gz CSXVEWPWXPYHLP-SPEDKVCISA-N 1 2 374.525 4.365 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330272904 1095443536 /nfs/dbraw/zinc/44/35/36/1095443536.db2.gz YIIAFWXEYXJUBB-GXTWGEPZSA-N 1 2 364.902 4.054 20 30 FIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000330283612 1095448850 /nfs/dbraw/zinc/44/88/50/1095448850.db2.gz WGZYECQSRKJXCV-CVEARBPZSA-N 1 2 351.516 4.168 20 30 FIEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551585 1095585351 /nfs/dbraw/zinc/58/53/51/1095585351.db2.gz AEVAGBPKNMRQQT-QGZVFWFLSA-N 1 2 370.456 4.382 20 30 FIEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551585 1095585362 /nfs/dbraw/zinc/58/53/62/1095585362.db2.gz AEVAGBPKNMRQQT-QGZVFWFLSA-N 1 2 370.456 4.382 20 30 FIEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000436111744 1098758965 /nfs/dbraw/zinc/75/89/65/1098758965.db2.gz GBPZIPXTAAHECV-JTQLQIEISA-N 1 2 374.653 4.069 20 30 FIEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000436111744 1098758973 /nfs/dbraw/zinc/75/89/73/1098758973.db2.gz GBPZIPXTAAHECV-JTQLQIEISA-N 1 2 374.653 4.069 20 30 FIEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1OC ZINC000505842028 1099089683 /nfs/dbraw/zinc/08/96/83/1099089683.db2.gz BQZSWNWPCFRBME-UHFFFAOYSA-N 1 2 368.477 4.029 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1OC ZINC000505842028 1099089695 /nfs/dbraw/zinc/08/96/95/1099089695.db2.gz BQZSWNWPCFRBME-UHFFFAOYSA-N 1 2 368.477 4.029 20 30 FIEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533540016 1099147348 /nfs/dbraw/zinc/14/73/48/1099147348.db2.gz KCSXERSBXRQHCL-QGZVFWFLSA-N 1 2 369.484 4.036 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505851431 1099151537 /nfs/dbraw/zinc/15/15/37/1099151537.db2.gz MWYULTDLZGFQFQ-POGDKVGISA-N 1 2 365.864 4.328 20 30 FIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505851431 1099151547 /nfs/dbraw/zinc/15/15/47/1099151547.db2.gz MWYULTDLZGFQFQ-POGDKVGISA-N 1 2 365.864 4.328 20 30 FIEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1OC(C)C ZINC000162247980 1099668850 /nfs/dbraw/zinc/66/88/50/1099668850.db2.gz XOPDTQNTLJATDU-UHFFFAOYSA-N 1 2 355.438 4.172 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(OCc2ccccn2)c1 ZINC000162267581 1099670700 /nfs/dbraw/zinc/67/07/00/1099670700.db2.gz WOEIZGOCUWIRTC-UHFFFAOYSA-N 1 2 374.444 4.350 20 30 FIEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCc1cccs1 ZINC000536665183 1100140209 /nfs/dbraw/zinc/14/02/09/1100140209.db2.gz WDWAMRWHFDXOIL-OAHLLOKOSA-N 1 2 356.491 4.460 20 30 FIEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCc1cccs1 ZINC000536665183 1100140218 /nfs/dbraw/zinc/14/02/18/1100140218.db2.gz WDWAMRWHFDXOIL-OAHLLOKOSA-N 1 2 356.491 4.460 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636775 1100372668 /nfs/dbraw/zinc/37/26/68/1100372668.db2.gz ANNKYLYPRBRWRI-MRXNPFEDSA-N 1 2 372.818 4.393 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636775 1100372676 /nfs/dbraw/zinc/37/26/76/1100372676.db2.gz ANNKYLYPRBRWRI-MRXNPFEDSA-N 1 2 372.818 4.393 20 30 FIEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000459662444 1100410741 /nfs/dbraw/zinc/41/07/41/1100410741.db2.gz ANIWKIODTVUBDY-CYBMUJFWSA-N 1 2 359.267 4.489 20 30 FIEDLO N#Cc1csc(C[NH+]2CCC(c3cccc(Br)c3)CC2)n1 ZINC000517634186 1100560546 /nfs/dbraw/zinc/56/05/46/1100560546.db2.gz INSZJMHJSUINHX-UHFFFAOYSA-N 1 2 362.296 4.157 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](CC)CCC#N)cc1OCC ZINC000506416606 1100990763 /nfs/dbraw/zinc/99/07/63/1100990763.db2.gz NFIUOHDTGDWQIM-UHFFFAOYSA-N 1 2 369.303 4.372 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](CC)CCC#N)cc1OCC ZINC000506416606 1100990766 /nfs/dbraw/zinc/99/07/66/1100990766.db2.gz NFIUOHDTGDWQIM-UHFFFAOYSA-N 1 2 369.303 4.372 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536948417 1101369700 /nfs/dbraw/zinc/36/97/00/1101369700.db2.gz RRTPZEHJCJXSBY-MSOLQXFVSA-N 1 2 367.896 4.222 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536948417 1101369713 /nfs/dbraw/zinc/36/97/13/1101369713.db2.gz RRTPZEHJCJXSBY-MSOLQXFVSA-N 1 2 367.896 4.222 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2cccc(F)c2o1 ZINC000475705983 1101375164 /nfs/dbraw/zinc/37/51/64/1101375164.db2.gz WIFXTASHXZJEME-LBPRGKRZSA-N 1 2 362.364 4.344 20 30 FIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCO1 ZINC000439436696 1101436177 /nfs/dbraw/zinc/43/61/77/1101436177.db2.gz HYFCTIAOYRPUHG-IBGZPJMESA-N 1 2 370.880 4.401 20 30 FIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCO1 ZINC000439436696 1101436183 /nfs/dbraw/zinc/43/61/83/1101436183.db2.gz HYFCTIAOYRPUHG-IBGZPJMESA-N 1 2 370.880 4.401 20 30 FIEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000532552822 1102471508 /nfs/dbraw/zinc/47/15/08/1102471508.db2.gz NHOVAUNRVVWCLW-INIZCTEOSA-N 1 2 356.466 4.097 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411688 1103029713 /nfs/dbraw/zinc/02/97/13/1103029713.db2.gz QLMBYVPNELXOND-INIZCTEOSA-N 1 2 354.885 4.124 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411688 1103029730 /nfs/dbraw/zinc/02/97/30/1103029730.db2.gz QLMBYVPNELXOND-INIZCTEOSA-N 1 2 354.885 4.124 20 30 FIEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cnn(Cc2ccccc2)c1 ZINC000760270447 1103077455 /nfs/dbraw/zinc/07/74/55/1103077455.db2.gz PHNHGTDETSHUPQ-FPLPWBNLSA-N 1 2 362.820 4.129 20 30 FIEDLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459384385 1103199816 /nfs/dbraw/zinc/19/98/16/1103199816.db2.gz IKQFHQQGXRXGOB-GOSISDBHSA-N 1 2 353.422 4.352 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000112546961 1104369449 /nfs/dbraw/zinc/36/94/49/1104369449.db2.gz INRVNGIZHOPMQA-ZIAGYGMSSA-N 1 2 363.552 4.021 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000112546963 1104370063 /nfs/dbraw/zinc/37/00/63/1104370063.db2.gz INRVNGIZHOPMQA-UONOGXRCSA-N 1 2 363.552 4.021 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739653 1104545952 /nfs/dbraw/zinc/54/59/52/1104545952.db2.gz LJPJVKGAOCBNJZ-KGLIPLIRSA-N 1 2 372.435 4.068 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739653 1104545962 /nfs/dbraw/zinc/54/59/62/1104545962.db2.gz LJPJVKGAOCBNJZ-KGLIPLIRSA-N 1 2 372.435 4.068 20 30 FIEDLO CC1(C)[C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C[C@@H]21 ZINC000328801291 1104570245 /nfs/dbraw/zinc/57/02/45/1104570245.db2.gz ACJBDHZJPQFBFO-HDICACEKSA-N 1 2 350.466 4.020 20 30 FIEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143585581 1104914917 /nfs/dbraw/zinc/91/49/17/1104914917.db2.gz MQKVZEFAFCNPKT-UHFFFAOYSA-N 1 2 369.484 4.002 20 30 FIEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143585581 1104914921 /nfs/dbraw/zinc/91/49/21/1104914921.db2.gz MQKVZEFAFCNPKT-UHFFFAOYSA-N 1 2 369.484 4.002 20 30 FIEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518825052 1104990466 /nfs/dbraw/zinc/99/04/66/1104990466.db2.gz MUCGZSCFRJXQND-NVXWUHKLSA-N 1 2 361.432 4.126 20 30 FIEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000518825052 1104990467 /nfs/dbraw/zinc/99/04/67/1104990467.db2.gz MUCGZSCFRJXQND-NVXWUHKLSA-N 1 2 361.432 4.126 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000614598649 1105013125 /nfs/dbraw/zinc/01/31/25/1105013125.db2.gz FICZWMDMVNXDPB-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000614598649 1105013128 /nfs/dbraw/zinc/01/31/28/1105013128.db2.gz FICZWMDMVNXDPB-HXUWFJFHSA-N 1 2 356.416 4.339 20 30 FIEDLO C[C@H]1C[C@@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1 ZINC000520589864 1105019879 /nfs/dbraw/zinc/01/98/79/1105019879.db2.gz KAMDIFDYOOMINM-RBZFPXEDSA-N 1 2 364.836 4.287 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000520629490 1105063643 /nfs/dbraw/zinc/06/36/43/1105063643.db2.gz OBIGNJDBHMUVDF-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451002485 1106882195 /nfs/dbraw/zinc/88/21/95/1106882195.db2.gz LMJDGIKSMRGNGL-HNNXBMFYSA-N 1 2 356.267 4.095 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451002485 1106882204 /nfs/dbraw/zinc/88/22/04/1106882204.db2.gz LMJDGIKSMRGNGL-HNNXBMFYSA-N 1 2 356.267 4.095 20 30 FIEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000261412504 1107789804 /nfs/dbraw/zinc/78/98/04/1107789804.db2.gz FUYPOPJWEKDZGL-FQEVSTJZSA-N 1 2 358.445 4.164 20 30 FIEDLO C=CC[C@H]1N(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1(C)C ZINC000444879003 1108254436 /nfs/dbraw/zinc/25/44/36/1108254436.db2.gz RNFLKSHMYUBKGL-LJQANCHMSA-N 1 2 370.541 4.348 20 30 FIEDLO C[N@@H+](Cc1csc2ccccc12)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441167481 1109400210 /nfs/dbraw/zinc/40/02/10/1109400210.db2.gz LHSRTYBKPOVBGH-UHFFFAOYSA-N 1 2 360.442 4.455 20 30 FIEDLO C[N@H+](Cc1csc2ccccc12)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441167481 1109400214 /nfs/dbraw/zinc/40/02/14/1109400214.db2.gz LHSRTYBKPOVBGH-UHFFFAOYSA-N 1 2 360.442 4.455 20 30 FIEDLO CCOc1cc(C[N@H+](C)Cc2cccc(F)c2C#N)ccc1OC(F)F ZINC000428463955 1109422403 /nfs/dbraw/zinc/42/24/03/1109422403.db2.gz OQXMINHECLXKOZ-UHFFFAOYSA-N 1 2 364.367 4.329 20 30 FIEDLO CCOc1cc(C[N@@H+](C)Cc2cccc(F)c2C#N)ccc1OC(F)F ZINC000428463955 1109422406 /nfs/dbraw/zinc/42/24/06/1109422406.db2.gz OQXMINHECLXKOZ-UHFFFAOYSA-N 1 2 364.367 4.329 20 30 FIEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218790 1109469750 /nfs/dbraw/zinc/46/97/50/1109469750.db2.gz NNWBZKLOOPWTPN-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218790 1109469752 /nfs/dbraw/zinc/46/97/52/1109469752.db2.gz NNWBZKLOOPWTPN-CYBMUJFWSA-N 1 2 352.825 4.455 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc(Cl)cc3)C3CC3)o2)c1 ZINC000441231491 1109483894 /nfs/dbraw/zinc/48/38/94/1109483894.db2.gz WSGFWABGYUNTMK-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc(Cl)cc3)C3CC3)o2)c1 ZINC000441231491 1109483895 /nfs/dbraw/zinc/48/38/95/1109483895.db2.gz WSGFWABGYUNTMK-UHFFFAOYSA-N 1 2 364.836 4.426 20 30 FIEDLO N#C[C@H]1CC[C@@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000450601132 1110317175 /nfs/dbraw/zinc/31/71/75/1110317175.db2.gz AKENTLYDXOXOHK-FUHWJXTLSA-N 1 2 367.522 4.038 20 30 FIEDLO C[C@H](C#N)CN(Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610619 1110319684 /nfs/dbraw/zinc/31/96/84/1110319684.db2.gz HEPGAUHFGUYHEJ-IAGOWNOFSA-N 1 2 368.500 4.074 20 30 FIEDLO C[C@H](C#N)CN(Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610619 1110319687 /nfs/dbraw/zinc/31/96/87/1110319687.db2.gz HEPGAUHFGUYHEJ-IAGOWNOFSA-N 1 2 368.500 4.074 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000539390338 1111548276 /nfs/dbraw/zinc/54/82/76/1111548276.db2.gz NQXRRPLIZODVEU-ICSRJNTNSA-N 1 2 354.498 4.285 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000237504100 1111849389 /nfs/dbraw/zinc/84/93/89/1111849389.db2.gz UDSDKPQCWIJDJC-LSDHHAIUSA-N 1 2 354.454 4.259 20 30 FIEDLO C=C(CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1 ZINC000478996175 1111928514 /nfs/dbraw/zinc/92/85/14/1111928514.db2.gz QOYZUYVBSXJDAD-UHFFFAOYSA-N 1 2 370.456 4.437 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551432 1112472655 /nfs/dbraw/zinc/47/26/55/1112472655.db2.gz KXFLRDXOSYOGAE-FUHWJXTLSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551432 1112472658 /nfs/dbraw/zinc/47/26/58/1112472658.db2.gz KXFLRDXOSYOGAE-FUHWJXTLSA-N 1 2 366.427 4.102 20 30 FIEDLO N#Cc1cc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1F ZINC000555865038 1113031957 /nfs/dbraw/zinc/03/19/57/1113031957.db2.gz NYUUKUBHBINRQL-UHFFFAOYSA-N 1 2 373.391 4.257 20 30 FIEDLO CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000486687063 1113623860 /nfs/dbraw/zinc/62/38/60/1113623860.db2.gz CBOJXNYEXIBKQX-HNNXBMFYSA-N 1 2 364.424 4.254 20 30 FIEDLO CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000486687063 1113623863 /nfs/dbraw/zinc/62/38/63/1113623863.db2.gz CBOJXNYEXIBKQX-HNNXBMFYSA-N 1 2 364.424 4.254 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1cccs1 ZINC000028726419 1114039192 /nfs/dbraw/zinc/03/91/92/1114039192.db2.gz OBAUMTMGYNZYMT-UHFFFAOYSA-N 1 2 369.534 4.283 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1cccs1 ZINC000028726419 1114039200 /nfs/dbraw/zinc/03/92/00/1114039200.db2.gz OBAUMTMGYNZYMT-UHFFFAOYSA-N 1 2 369.534 4.283 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2CC(C)C)C(C)(C)C)cc1 ZINC000489964545 1114195085 /nfs/dbraw/zinc/19/50/85/1114195085.db2.gz IXKOKORHMSFVBL-UHFFFAOYSA-N 1 2 356.514 4.300 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2CC(C)C)C(C)(C)C)cc1 ZINC000489964545 1114195087 /nfs/dbraw/zinc/19/50/87/1114195087.db2.gz IXKOKORHMSFVBL-UHFFFAOYSA-N 1 2 356.514 4.300 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000589740039 1114831391 /nfs/dbraw/zinc/83/13/91/1114831391.db2.gz HVUIHKGSNFXCPW-UHFFFAOYSA-N 1 2 362.433 4.149 20 30 FIEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000591760820 1115126653 /nfs/dbraw/zinc/12/66/53/1115126653.db2.gz ZURVOKJPNHBAFD-BXUZGUMPSA-N 1 2 374.204 4.476 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(OC)cc1 ZINC000059423204 1115511140 /nfs/dbraw/zinc/51/11/40/1115511140.db2.gz GHYOKKGYCWOEAW-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(OC)cc1 ZINC000059423204 1115511143 /nfs/dbraw/zinc/51/11/43/1115511143.db2.gz GHYOKKGYCWOEAW-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C[N@@H+]1CC[C@H](N[C@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595477423 1115538679 /nfs/dbraw/zinc/53/86/79/1115538679.db2.gz SPFZMSYHEQGLFC-IPMKNSEASA-N 1 2 361.823 4.218 20 30 FIEDLO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595477423 1115538681 /nfs/dbraw/zinc/53/86/81/1115538681.db2.gz SPFZMSYHEQGLFC-IPMKNSEASA-N 1 2 361.823 4.218 20 30 FIEDLO NC(=[NH+]OC/C=C/c1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000060197110 1115597744 /nfs/dbraw/zinc/59/77/44/1115597744.db2.gz QIXMMQLLHHRWFN-WEVVVXLNSA-N 1 2 359.429 4.011 20 30 FIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000597228226 1115649663 /nfs/dbraw/zinc/64/96/63/1115649663.db2.gz CAMZDNHEQBMEKR-HXUWFJFHSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000597228226 1115649665 /nfs/dbraw/zinc/64/96/65/1115649665.db2.gz CAMZDNHEQBMEKR-HXUWFJFHSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000597231712 1115649982 /nfs/dbraw/zinc/64/99/82/1115649982.db2.gz ZYYLDAPQKMDUSY-OAQYLSRUSA-N 1 2 362.502 4.395 20 30 FIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000597231712 1115649984 /nfs/dbraw/zinc/64/99/84/1115649984.db2.gz ZYYLDAPQKMDUSY-OAQYLSRUSA-N 1 2 362.502 4.395 20 30 FIEDLO Cc1cccc(C[NH+](Cc2ccc(C)c(C#N)c2)Cc2cccc(C)n2)n1 ZINC000599340602 1115808505 /nfs/dbraw/zinc/80/85/05/1115808505.db2.gz GQYOYEVPNCGSNX-UHFFFAOYSA-N 1 2 356.473 4.476 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599514900 1115821463 /nfs/dbraw/zinc/82/14/63/1115821463.db2.gz IXSMJDGFBJODCU-WMLDXEAASA-N 1 2 369.415 4.043 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599514900 1115821464 /nfs/dbraw/zinc/82/14/64/1115821464.db2.gz IXSMJDGFBJODCU-WMLDXEAASA-N 1 2 369.415 4.043 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686339 1115838122 /nfs/dbraw/zinc/83/81/22/1115838122.db2.gz QTRPIHJIGJQWBR-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686339 1115838126 /nfs/dbraw/zinc/83/81/26/1115838126.db2.gz QTRPIHJIGJQWBR-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO Fc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1C(F)(F)F ZINC000535072716 1116267360 /nfs/dbraw/zinc/26/73/60/1116267360.db2.gz CCYILSLINAIGIK-NSHDSACASA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1C(F)(F)F ZINC000535072716 1116267362 /nfs/dbraw/zinc/26/73/62/1116267362.db2.gz CCYILSLINAIGIK-NSHDSACASA-N 1 2 359.285 4.388 20 30 FIEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)C1=O ZINC000539710700 1116368770 /nfs/dbraw/zinc/36/87/70/1116368770.db2.gz WUHFOLMEIDKUKQ-WOJBJXKFSA-N 1 2 372.871 4.253 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539766388 1116377546 /nfs/dbraw/zinc/37/75/46/1116377546.db2.gz VGMXFXGZFMZHKL-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539766388 1116377548 /nfs/dbraw/zinc/37/75/48/1116377548.db2.gz VGMXFXGZFMZHKL-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000462751856 1117751873 /nfs/dbraw/zinc/75/18/73/1117751873.db2.gz CZQOXDKRQOPXAA-HNNXBMFYSA-N 1 2 365.433 4.161 20 30 FIEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000029857566 1117957304 /nfs/dbraw/zinc/95/73/04/1117957304.db2.gz CJMCEOXUDHOTJB-UHFFFAOYSA-N 1 2 363.358 4.038 20 30 FIEDLO COc1cc(C)[nH+]c(CSCc2ccc(C#N)cc2OC(F)F)c1 ZINC000540723955 1118207001 /nfs/dbraw/zinc/20/70/01/1118207001.db2.gz OXSYNLYYVQOMJT-UHFFFAOYSA-N 1 2 350.390 4.305 20 30 FIEDLO N#Cc1cccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000463689033 1118282451 /nfs/dbraw/zinc/28/24/51/1118282451.db2.gz XCKHUSQOPXXTEO-UHFFFAOYSA-N 1 2 371.444 4.080 20 30 FIEDLO CC(C)C[N@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000542117309 1118801175 /nfs/dbraw/zinc/80/11/75/1118801175.db2.gz LZBWXPWCARQHTP-UHFFFAOYSA-N 1 2 364.312 4.435 20 30 FIEDLO CC(C)C[N@@H+](Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000542117309 1118801179 /nfs/dbraw/zinc/80/11/79/1118801179.db2.gz LZBWXPWCARQHTP-UHFFFAOYSA-N 1 2 364.312 4.435 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)c1 ZINC000271767779 1118844300 /nfs/dbraw/zinc/84/43/00/1118844300.db2.gz JFOSYRBONNNZNQ-UHFFFAOYSA-N 1 2 357.335 4.497 20 30 FIEDLO C=CCC[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492489462 1119110392 /nfs/dbraw/zinc/11/03/92/1119110392.db2.gz NBSXYEDNDGIAJK-LJQANCHMSA-N 1 2 361.449 4.155 20 30 FIEDLO Cc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000443959828 1119126736 /nfs/dbraw/zinc/12/67/36/1119126736.db2.gz CDKPQVPLNMECRB-LJQANCHMSA-N 1 2 350.853 4.133 20 30 FIEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492658127 1119160547 /nfs/dbraw/zinc/16/05/47/1119160547.db2.gz UKQUAJUMDYZRBE-SFHVURJKSA-N 1 2 358.283 4.386 20 30 FIEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492658127 1119160548 /nfs/dbraw/zinc/16/05/48/1119160548.db2.gz UKQUAJUMDYZRBE-SFHVURJKSA-N 1 2 358.283 4.386 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1OCCc2ccccc21 ZINC000492765789 1119182848 /nfs/dbraw/zinc/18/28/48/1119182848.db2.gz FCBOLMRQTHMFDQ-IBGZPJMESA-N 1 2 371.278 4.067 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1OCCc2ccccc21 ZINC000492765789 1119182850 /nfs/dbraw/zinc/18/28/50/1119182850.db2.gz FCBOLMRQTHMFDQ-IBGZPJMESA-N 1 2 371.278 4.067 20 30 FIEDLO COCC[N@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000494248235 1119797752 /nfs/dbraw/zinc/79/77/52/1119797752.db2.gz QEIYFEXBYHAJLZ-UHFFFAOYSA-N 1 2 364.308 4.011 20 30 FIEDLO COCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000494248235 1119797755 /nfs/dbraw/zinc/79/77/55/1119797755.db2.gz QEIYFEXBYHAJLZ-UHFFFAOYSA-N 1 2 364.308 4.011 20 30 FIEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000193050133 1120096899 /nfs/dbraw/zinc/09/68/99/1120096899.db2.gz ZZVNIMLIOWNXTM-UHFFFAOYSA-N 1 2 373.460 4.054 20 30 FIEDLO Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761758320 1120345707 /nfs/dbraw/zinc/34/57/07/1120345707.db2.gz FQSBNZWSZFNTRZ-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761758320 1120345712 /nfs/dbraw/zinc/34/57/12/1120345712.db2.gz FQSBNZWSZFNTRZ-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CCO2)c1 ZINC000761761911 1120357844 /nfs/dbraw/zinc/35/78/44/1120357844.db2.gz QOQKXEYTCCFKMY-SFHVURJKSA-N 1 2 360.429 4.446 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CCO2)c1 ZINC000761761911 1120357848 /nfs/dbraw/zinc/35/78/48/1120357848.db2.gz QOQKXEYTCCFKMY-SFHVURJKSA-N 1 2 360.429 4.446 20 30 FIEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccc(F)cc1 ZINC000762470259 1120912374 /nfs/dbraw/zinc/91/23/74/1120912374.db2.gz RMRLVQLPSFSUIB-UHFFFAOYSA-N 1 2 369.469 4.024 20 30 FIEDLO COc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)cc3F)cs2)cc1 ZINC000609239595 1121333674 /nfs/dbraw/zinc/33/36/74/1121333674.db2.gz UCXKKXBULUKIAX-UHFFFAOYSA-N 1 2 353.422 4.119 20 30 FIEDLO C[C@H]1C[NH+](Cc2ccccc2N=Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000915981575 1121362399 /nfs/dbraw/zinc/36/23/99/1121362399.db2.gz UWLIYQPWTYZDIR-GJZGRUSLSA-N 1 2 358.869 4.405 20 30 FIEDLO CC(=[NH+]NC(=S)Nc1cccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000916298378 1121466685 /nfs/dbraw/zinc/46/66/85/1121466685.db2.gz IYSYSDXJKINRDV-UHFFFAOYSA-N 1 2 367.522 4.173 20 30 FIEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000066396659 1122058662 /nfs/dbraw/zinc/05/86/62/1122058662.db2.gz WAFQQWFOVWFLJF-NRFANRHFSA-N 1 2 372.472 4.224 20 30 FIEDLO NC(=[NH+]OCCCCC(F)(F)F)c1ccc(OCc2cccnc2)cc1 ZINC000154283466 1122154362 /nfs/dbraw/zinc/15/43/62/1122154362.db2.gz DGWJMDOGAXGDJT-UHFFFAOYSA-N 1 2 367.371 4.030 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c1C ZINC000497391638 1122204836 /nfs/dbraw/zinc/20/48/36/1122204836.db2.gz SWUSIMZXVBOWQF-UHFFFAOYSA-N 1 2 358.526 4.287 20 30 FIEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000128910906 1122459257 /nfs/dbraw/zinc/45/92/57/1122459257.db2.gz UKDWUTGDDDOROC-UHFFFAOYSA-N 1 2 352.413 4.490 20 30 FIEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000918187531 1122586203 /nfs/dbraw/zinc/58/62/03/1122586203.db2.gz DEAUIZVKFUJSAO-UHFFFAOYSA-N 1 2 353.393 4.134 20 30 FIEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000918187531 1122586205 /nfs/dbraw/zinc/58/62/05/1122586205.db2.gz DEAUIZVKFUJSAO-UHFFFAOYSA-N 1 2 353.393 4.134 20 30 FIEDLO C[C@H](C#N)CN(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498659655 1122936996 /nfs/dbraw/zinc/93/69/96/1122936996.db2.gz QPEUWNGCELDSBV-CQSZACIVSA-N 1 2 365.506 4.016 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053779 1123176449 /nfs/dbraw/zinc/17/64/49/1123176449.db2.gz ORHKXJDJVBKOEH-UHFFFAOYSA-N 1 2 361.445 4.466 20 30 FIEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053779 1123176452 /nfs/dbraw/zinc/17/64/52/1123176452.db2.gz ORHKXJDJVBKOEH-UHFFFAOYSA-N 1 2 361.445 4.466 20 30 FIEDLO N#CC1(c2ccc(Nc3ccc4[nH+]cc(Br)n4c3)cc2)CC1 ZINC001212249749 1123476864 /nfs/dbraw/zinc/47/68/64/1123476864.db2.gz LPIOTOWYOOXBKD-UHFFFAOYSA-N 1 2 353.223 4.396 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000609384804 1123698930 /nfs/dbraw/zinc/69/89/30/1123698930.db2.gz ANVJEHUUONDYHZ-AWEZNQCLSA-N 1 2 359.520 4.070 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000609384804 1123698936 /nfs/dbraw/zinc/69/89/36/1123698936.db2.gz ANVJEHUUONDYHZ-AWEZNQCLSA-N 1 2 359.520 4.070 20 30 FIEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000609388494 1123700232 /nfs/dbraw/zinc/70/02/32/1123700232.db2.gz PFHUYELUASCRTA-ZDUSSCGKSA-N 1 2 373.444 4.294 20 30 FIEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000609388494 1123700235 /nfs/dbraw/zinc/70/02/35/1123700235.db2.gz PFHUYELUASCRTA-ZDUSSCGKSA-N 1 2 373.444 4.294 20 30 FIEDLO N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000609664118 1123788406 /nfs/dbraw/zinc/78/84/06/1123788406.db2.gz OXKDMYYKOLDLRP-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc[nH+]1 ZINC000609732151 1123811901 /nfs/dbraw/zinc/81/19/01/1123811901.db2.gz AHYQJIYQMQARNK-UHFFFAOYSA-N 1 2 363.804 4.382 20 30 FIEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245542483 1124114898 /nfs/dbraw/zinc/11/48/98/1124114898.db2.gz PVWNIVAVSDTAGW-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245542483 1124114902 /nfs/dbraw/zinc/11/49/02/1124114902.db2.gz PVWNIVAVSDTAGW-JKSUJKDBSA-N 1 2 368.506 4.107 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302665419 1124336432 /nfs/dbraw/zinc/33/64/32/1124336432.db2.gz MNZHJWVNSFBOQP-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(Br)cc1Cl ZINC000616857440 1124397286 /nfs/dbraw/zinc/39/72/86/1124397286.db2.gz FIPLHCFVGRZZNS-UHFFFAOYSA-N 1 2 350.647 4.001 20 30 FIEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(Br)cc1Cl ZINC000616857440 1124397320 /nfs/dbraw/zinc/39/73/20/1124397320.db2.gz FIPLHCFVGRZZNS-UHFFFAOYSA-N 1 2 350.647 4.001 20 30 FIEDLO C#CC[N@@H+](Cc1cncc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000785452994 1124551054 /nfs/dbraw/zinc/55/10/54/1124551054.db2.gz AAVLQDTZHXBRMX-GOSISDBHSA-N 1 2 371.278 4.112 20 30 FIEDLO C#CC[N@H+](Cc1cncc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000785452994 1124551064 /nfs/dbraw/zinc/55/10/64/1124551064.db2.gz AAVLQDTZHXBRMX-GOSISDBHSA-N 1 2 371.278 4.112 20 30 FIEDLO CCCCCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763496239 1124994715 /nfs/dbraw/zinc/99/47/15/1124994715.db2.gz ZKEUZARYCSTERE-KOSHJBKYSA-N 1 2 351.556 4.379 20 30 FIEDLO CCCCCCCOc1cccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763496239 1124994717 /nfs/dbraw/zinc/99/47/17/1124994717.db2.gz ZKEUZARYCSTERE-KOSHJBKYSA-N 1 2 351.556 4.379 20 30 FIEDLO C=C(C)[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC000251677884 1125017140 /nfs/dbraw/zinc/01/71/40/1125017140.db2.gz MWWPIBSPCYCBCO-KYNGSXCRSA-N 1 2 374.435 4.071 20 30 FIEDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000618453259 1125184810 /nfs/dbraw/zinc/18/48/10/1125184810.db2.gz WIRAKIPSEUYNJM-QWRGUYRKSA-N 1 2 359.285 4.397 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300793 567972806 /nfs/dbraw/zinc/97/28/06/567972806.db2.gz KYBXKACFRTZZEI-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300793 567972807 /nfs/dbraw/zinc/97/28/07/567972807.db2.gz KYBXKACFRTZZEI-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO CCCc1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000568566363 568047660 /nfs/dbraw/zinc/04/76/60/568047660.db2.gz SYOVGFSWHOKTEB-UHFFFAOYSA-N 1 2 359.470 4.150 20 30 FIEDLO CC(C)(C)c1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000481766820 568119807 /nfs/dbraw/zinc/11/98/07/568119807.db2.gz WQJMUJPMFCUJNM-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO C[C@H](NC(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2)c1cccs1 ZINC000328654747 571326210 /nfs/dbraw/zinc/32/62/10/571326210.db2.gz XTTFQWPDIRIYCA-WMLDXEAASA-N 1 2 372.538 4.215 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCCOCc2ccccc2)c1C#N ZINC000619624262 1125636364 /nfs/dbraw/zinc/63/63/64/1125636364.db2.gz DHBCLVJHLRACLQ-UHFFFAOYSA-N 1 2 374.488 4.091 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCCOCc2ccccc2)c1C#N ZINC000619624262 1125636369 /nfs/dbraw/zinc/63/63/69/1125636369.db2.gz DHBCLVJHLRACLQ-UHFFFAOYSA-N 1 2 374.488 4.091 20 30 FIEDLO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nnn1-c1ccc(C)cc1 ZINC000619754789 1125680834 /nfs/dbraw/zinc/68/08/34/1125680834.db2.gz KSGOYBMCONLOSE-AWEZNQCLSA-N 1 2 365.868 4.260 20 30 FIEDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nnn1-c1ccc(F)cc1 ZINC000619755623 1125681280 /nfs/dbraw/zinc/68/12/80/1125681280.db2.gz NOPDWHLIWZPZKP-GFCCVEGCSA-N 1 2 369.831 4.091 20 30 FIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001167251643 1080910405 /nfs/dbraw/zinc/91/04/05/1080910405.db2.gz GJVIIOXDCAERSY-FQEVSTJZSA-N 1 2 365.864 4.005 20 30 FIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001167251643 1080910408 /nfs/dbraw/zinc/91/04/08/1080910408.db2.gz GJVIIOXDCAERSY-FQEVSTJZSA-N 1 2 365.864 4.005 20 30 FIEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610368914 1081553576 /nfs/dbraw/zinc/55/35/76/1081553576.db2.gz FGWDAWADZGLBED-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610368914 1081553580 /nfs/dbraw/zinc/55/35/80/1081553580.db2.gz FGWDAWADZGLBED-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO Cc1cc2c(s1)N(c1cc3nc[nH]c3c(C#N)n1)c1ccccc1NC2=[NH2+] ZINC001167456459 1082502987 /nfs/dbraw/zinc/50/29/87/1082502987.db2.gz HNDRNSAJDCWEIS-UHFFFAOYSA-N 1 2 371.429 4.020 20 30 FIEDLO C=CCc1cc(C[N@H+]2CCCC[C@@H]2c2nccn2CC)cc(OC)c1O ZINC000430869055 1083215918 /nfs/dbraw/zinc/21/59/18/1083215918.db2.gz PDQKDIJSRUPTNG-GOSISDBHSA-N 1 2 355.482 4.073 20 30 FIEDLO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2c2nccn2CC)cc(OC)c1O ZINC000430869055 1083215922 /nfs/dbraw/zinc/21/59/22/1083215922.db2.gz PDQKDIJSRUPTNG-GOSISDBHSA-N 1 2 355.482 4.073 20 30 FIEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ncccc1C(F)(F)F ZINC000092646222 1083463200 /nfs/dbraw/zinc/46/32/00/1083463200.db2.gz LWCIMLVXXMATNG-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ncccc1C(F)(F)F ZINC000092646222 1083463204 /nfs/dbraw/zinc/46/32/04/1083463204.db2.gz LWCIMLVXXMATNG-UHFFFAOYSA-N 1 2 351.328 4.197 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC(F)F)cc1 ZINC000179602411 1083573552 /nfs/dbraw/zinc/57/35/52/1083573552.db2.gz XHJTVDWWYCZZAQ-LBPRGKRZSA-N 1 2 370.359 4.060 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612407170 1083780936 /nfs/dbraw/zinc/78/09/36/1083780936.db2.gz ZQMWPBFQRDUHKS-HXUWFJFHSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612407170 1083780945 /nfs/dbraw/zinc/78/09/45/1083780945.db2.gz ZQMWPBFQRDUHKS-HXUWFJFHSA-N 1 2 356.901 4.327 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000610994888 1083946659 /nfs/dbraw/zinc/94/66/59/1083946659.db2.gz ZKZBNXWUGQMULM-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000610994888 1083946664 /nfs/dbraw/zinc/94/66/64/1083946664.db2.gz ZKZBNXWUGQMULM-HXUWFJFHSA-N 1 2 360.461 4.274 20 30 FIEDLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000581220194 1084522238 /nfs/dbraw/zinc/52/22/38/1084522238.db2.gz LJFCXZXSPPWGJV-AWEZNQCLSA-N 1 2 359.495 4.443 20 30 FIEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178533207 1084641158 /nfs/dbraw/zinc/64/11/58/1084641158.db2.gz VUEXOYIZQYKKHU-NHCUHLMSSA-N 1 2 371.444 4.114 20 30 FIEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000511080706 1084671528 /nfs/dbraw/zinc/67/15/28/1084671528.db2.gz JTXQCKVPUWGDOW-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000511080706 1084671533 /nfs/dbraw/zinc/67/15/33/1084671533.db2.gz JTXQCKVPUWGDOW-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO N#Cc1csc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)n1 ZINC000582552125 1084739177 /nfs/dbraw/zinc/73/91/77/1084739177.db2.gz XLGDBMBEMCAORP-QGZVFWFLSA-N 1 2 354.866 4.137 20 30 FIEDLO CC(C)(C)c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087010 1085696195 /nfs/dbraw/zinc/69/61/95/1085696195.db2.gz FOOBVKUBNUGJLK-UHFFFAOYSA-N 1 2 354.523 4.025 20 30 FIEDLO CC(C)(C)c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087010 1085696201 /nfs/dbraw/zinc/69/62/01/1085696201.db2.gz FOOBVKUBNUGJLK-UHFFFAOYSA-N 1 2 354.523 4.025 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000161612037 1086475560 /nfs/dbraw/zinc/47/55/60/1086475560.db2.gz WVQFBZDPIUBWPS-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000161612037 1086475570 /nfs/dbraw/zinc/47/55/70/1086475570.db2.gz WVQFBZDPIUBWPS-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161890711 1086972888 /nfs/dbraw/zinc/97/28/88/1086972888.db2.gz GHDHEXVQFGQGSO-QGZVFWFLSA-N 1 2 371.554 4.378 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161890711 1086972891 /nfs/dbraw/zinc/97/28/91/1086972891.db2.gz GHDHEXVQFGQGSO-QGZVFWFLSA-N 1 2 371.554 4.378 20 30 FIEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000583881033 1087009681 /nfs/dbraw/zinc/00/96/81/1087009681.db2.gz QCGZLZGEKIQZDJ-CXAGYDPISA-N 1 2 365.399 4.431 20 30 FIEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881033 1087009685 /nfs/dbraw/zinc/00/96/85/1087009685.db2.gz QCGZLZGEKIQZDJ-CXAGYDPISA-N 1 2 365.399 4.431 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2csc3ccccc23)c(C#N)c1C ZINC000052805996 1087178532 /nfs/dbraw/zinc/17/85/32/1087178532.db2.gz VLXUYUQIOGQWTI-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2csc3ccccc23)c(C#N)c1C ZINC000052805996 1087178535 /nfs/dbraw/zinc/17/85/35/1087178535.db2.gz VLXUYUQIOGQWTI-UHFFFAOYSA-N 1 2 353.447 4.053 20 30 FIEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Br)cc2Cl)nn1 ZINC000424294639 1087902364 /nfs/dbraw/zinc/90/23/64/1087902364.db2.gz LGLBANBCPPFNGB-HNNXBMFYSA-N 1 2 369.694 4.121 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000505028855 1088068443 /nfs/dbraw/zinc/06/84/43/1088068443.db2.gz JGCYNJNFEQSTDW-SFHVURJKSA-N 1 2 364.493 4.111 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000505034294 1088074337 /nfs/dbraw/zinc/07/43/37/1088074337.db2.gz CNLVRPYFQOZPJN-UHFFFAOYSA-N 1 2 350.466 4.122 20 30 FIEDLO N#Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(Br)c1 ZINC000181181127 1088263454 /nfs/dbraw/zinc/26/34/54/1088263454.db2.gz UVATZINUIICCFY-UHFFFAOYSA-N 1 2 362.296 4.336 20 30 FIEDLO C=CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1Cl ZINC000472645626 1088869916 /nfs/dbraw/zinc/86/99/16/1088869916.db2.gz JKBNDOSQQXUZCY-UHFFFAOYSA-N 1 2 355.825 4.245 20 30 FIEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cccc1Cl ZINC000505511530 1089035498 /nfs/dbraw/zinc/03/54/98/1089035498.db2.gz FOMLKUZMRZDPOA-MRXNPFEDSA-N 1 2 371.227 4.174 20 30 FIEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cccc1Cl ZINC000505511529 1089035596 /nfs/dbraw/zinc/03/55/96/1089035596.db2.gz FOMLKUZMRZDPOA-INIZCTEOSA-N 1 2 371.227 4.174 20 30 FIEDLO CCOc1c(Cl)cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434986056 1089184986 /nfs/dbraw/zinc/18/49/86/1089184986.db2.gz FERVVGSZGZQVBL-UHFFFAOYSA-N 1 2 362.832 4.390 20 30 FIEDLO CCOc1c(Cl)cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434986056 1089184991 /nfs/dbraw/zinc/18/49/91/1089184991.db2.gz FERVVGSZGZQVBL-UHFFFAOYSA-N 1 2 362.832 4.390 20 30 FIEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCCCCNc1cccc[nH+]1 ZINC000609507765 1089968024 /nfs/dbraw/zinc/96/80/24/1089968024.db2.gz RPKFVTVHICICEG-UHFFFAOYSA-N 1 2 369.831 4.020 20 30 FIEDLO CSc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000500228642 1091123170 /nfs/dbraw/zinc/12/31/70/1091123170.db2.gz XDCQCUPGAQYRGW-ZDUSSCGKSA-N 1 2 350.447 4.181 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000432675357 1092064848 /nfs/dbraw/zinc/06/48/48/1092064848.db2.gz AMQOPNUWKLJCJS-IRXDYDNUSA-N 1 2 359.514 4.020 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000512516436 1092616414 /nfs/dbraw/zinc/61/64/14/1092616414.db2.gz GLLCAGRCCSTQGA-ICSRJNTNSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000512516436 1092616422 /nfs/dbraw/zinc/61/64/22/1092616422.db2.gz GLLCAGRCCSTQGA-ICSRJNTNSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000512516435 1092616763 /nfs/dbraw/zinc/61/67/63/1092616763.db2.gz GLLCAGRCCSTQGA-AZUAARDMSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000512516435 1092616770 /nfs/dbraw/zinc/61/67/70/1092616770.db2.gz GLLCAGRCCSTQGA-AZUAARDMSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000512543002 1092731679 /nfs/dbraw/zinc/73/16/79/1092731679.db2.gz YGHIRJQNWBVXCQ-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000512543002 1092731687 /nfs/dbraw/zinc/73/16/87/1092731687.db2.gz YGHIRJQNWBVXCQ-IBGZPJMESA-N 1 2 368.525 4.486 20 30 FIEDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1C#N ZINC000442886450 1092841287 /nfs/dbraw/zinc/84/12/87/1092841287.db2.gz RQOROVLHCAXKKY-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO COc1cc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1C#N ZINC000442886450 1092841291 /nfs/dbraw/zinc/84/12/91/1092841291.db2.gz RQOROVLHCAXKKY-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509812859 1093423973 /nfs/dbraw/zinc/42/39/73/1093423973.db2.gz OEXUSZYYZYAILL-SFHVURJKSA-N 1 2 374.488 4.198 20 30 FIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509812859 1093423977 /nfs/dbraw/zinc/42/39/77/1093423977.db2.gz OEXUSZYYZYAILL-SFHVURJKSA-N 1 2 374.488 4.198 20 30 FIEDLO C[N@H+](CCC(=O)c1ccccc1)Cc1ccc(Br)cc1C#N ZINC001141814951 1093584146 /nfs/dbraw/zinc/58/41/46/1093584146.db2.gz UWRUZNSDAAIEKS-UHFFFAOYSA-N 1 2 357.251 4.026 20 30 FIEDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(Br)cc1C#N ZINC001141814951 1093584150 /nfs/dbraw/zinc/58/41/50/1093584150.db2.gz UWRUZNSDAAIEKS-UHFFFAOYSA-N 1 2 357.251 4.026 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccc(OC)cc1 ZINC000614351721 1093720015 /nfs/dbraw/zinc/72/00/15/1093720015.db2.gz XADNZFDZVANBFM-UHFFFAOYSA-N 1 2 352.478 4.445 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccc(OC)cc1 ZINC000614351721 1093720021 /nfs/dbraw/zinc/72/00/21/1093720021.db2.gz XADNZFDZVANBFM-UHFFFAOYSA-N 1 2 352.478 4.445 20 30 FIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000729266653 1093954556 /nfs/dbraw/zinc/95/45/56/1093954556.db2.gz ADXFBEHCVMXVNX-QGZVFWFLSA-N 1 2 369.896 4.121 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037882 1094720592 /nfs/dbraw/zinc/72/05/92/1094720592.db2.gz NKWMMFWRSWBTPZ-OCCSQVGLSA-N 1 2 362.861 4.114 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)C2)n1 ZINC000329037882 1094720610 /nfs/dbraw/zinc/72/06/10/1094720610.db2.gz NKWMMFWRSWBTPZ-OCCSQVGLSA-N 1 2 362.861 4.114 20 30 FIEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001141901360 1094753449 /nfs/dbraw/zinc/75/34/49/1094753449.db2.gz UJGOOCKKJFNZMS-IBGZPJMESA-N 1 2 371.278 4.364 20 30 FIEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001141901360 1094753461 /nfs/dbraw/zinc/75/34/61/1094753461.db2.gz UJGOOCKKJFNZMS-IBGZPJMESA-N 1 2 371.278 4.364 20 30 FIEDLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001268921459 1094787373 /nfs/dbraw/zinc/78/73/73/1094787373.db2.gz DLIJOEPGEZRFAC-DLBZAZTESA-N 1 2 358.445 4.250 20 30 FIEDLO C[C@]1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCCOC1 ZINC000329315120 1094837144 /nfs/dbraw/zinc/83/71/44/1094837144.db2.gz HEISLCIMFXLYGW-FQEVSTJZSA-N 1 2 371.506 4.106 20 30 FIEDLO C[C@]1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCCOC1 ZINC000329315120 1094837157 /nfs/dbraw/zinc/83/71/57/1094837157.db2.gz HEISLCIMFXLYGW-FQEVSTJZSA-N 1 2 371.506 4.106 20 30 FIEDLO CC1(C)CCC2(CC[NH+](Cc3cc(Br)ccc3C#N)CC2)O1 ZINC001141904726 1094868345 /nfs/dbraw/zinc/86/83/45/1094868345.db2.gz AVECCCYIUDRDJM-UHFFFAOYSA-N 1 2 363.299 4.244 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)Nc1ccccc1 ZINC000329433914 1094904318 /nfs/dbraw/zinc/90/43/18/1094904318.db2.gz JBKIUCOYVNQAPZ-QGZVFWFLSA-N 1 2 367.497 4.320 20 30 FIEDLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)Nc1ccccc1 ZINC000329433914 1094904319 /nfs/dbraw/zinc/90/43/19/1094904319.db2.gz JBKIUCOYVNQAPZ-QGZVFWFLSA-N 1 2 367.497 4.320 20 30 FIEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329437943 1094905483 /nfs/dbraw/zinc/90/54/83/1094905483.db2.gz JLOOHSJVZXQMND-CQSZACIVSA-N 1 2 359.499 4.339 20 30 FIEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(C2CC2)CCOCC1 ZINC000329644802 1095050182 /nfs/dbraw/zinc/05/01/82/1095050182.db2.gz ZGEUSMAKHFNEKK-UHFFFAOYSA-N 1 2 357.498 4.125 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329729254 1095224884 /nfs/dbraw/zinc/22/48/84/1095224884.db2.gz CVUNUBXLUPFGKK-AFAVFJNCSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329729254 1095224898 /nfs/dbraw/zinc/22/48/98/1095224898.db2.gz CVUNUBXLUPFGKK-AFAVFJNCSA-N 1 2 366.889 4.215 20 30 FIEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330128470 1095387480 /nfs/dbraw/zinc/38/74/80/1095387480.db2.gz NQEILANLJVLKGC-RCZSKKKRSA-N 1 2 374.525 4.000 20 30 FIEDLO CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330128470 1095387496 /nfs/dbraw/zinc/38/74/96/1095387496.db2.gz NQEILANLJVLKGC-RCZSKKKRSA-N 1 2 374.525 4.000 20 30 FIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000330156234 1095396258 /nfs/dbraw/zinc/39/62/58/1095396258.db2.gz YRDLDUOEKPRWGV-BMFZPTHFSA-N 1 2 351.516 4.168 20 30 FIEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000330156234 1095396268 /nfs/dbraw/zinc/39/62/68/1095396268.db2.gz YRDLDUOEKPRWGV-BMFZPTHFSA-N 1 2 351.516 4.168 20 30 FIEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330191199 1095411345 /nfs/dbraw/zinc/41/13/45/1095411345.db2.gz MWNUBPMUFPNMIQ-ZDUSSCGKSA-N 1 2 364.902 4.016 20 30 FIEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529031 1095543955 /nfs/dbraw/zinc/54/39/55/1095543955.db2.gz MYWAWCPHENGAPD-UHFFFAOYSA-N 1 2 359.473 4.409 20 30 FIEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529031 1095543968 /nfs/dbraw/zinc/54/39/68/1095543968.db2.gz MYWAWCPHENGAPD-UHFFFAOYSA-N 1 2 359.473 4.409 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000027775190 1095651103 /nfs/dbraw/zinc/65/11/03/1095651103.db2.gz XXBPGUFJENMTPF-UHFFFAOYSA-N 1 2 364.367 4.212 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000027775190 1095651126 /nfs/dbraw/zinc/65/11/26/1095651126.db2.gz XXBPGUFJENMTPF-UHFFFAOYSA-N 1 2 364.367 4.212 20 30 FIEDLO Cc1cn2cc(NC(=O)c3cn(CCCC#N)c4ccccc34)ccc2[nH+]1 ZINC000444136621 1095766724 /nfs/dbraw/zinc/76/67/24/1095766724.db2.gz COTMUUKGVSZGEA-UHFFFAOYSA-N 1 2 357.417 4.154 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000425540940 1099007729 /nfs/dbraw/zinc/00/77/29/1099007729.db2.gz VXFGRYIDVGJDMJ-CQSZACIVSA-N 1 2 365.868 4.200 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000425540940 1099007740 /nfs/dbraw/zinc/00/77/40/1099007740.db2.gz VXFGRYIDVGJDMJ-CQSZACIVSA-N 1 2 365.868 4.200 20 30 FIEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000533538662 1099147599 /nfs/dbraw/zinc/14/75/99/1099147599.db2.gz YBSGSYIHOJVBBK-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000533538662 1099147611 /nfs/dbraw/zinc/14/76/11/1099147611.db2.gz YBSGSYIHOJVBBK-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO COc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000459387329 1099330127 /nfs/dbraw/zinc/33/01/27/1099330127.db2.gz CIQFULWZQXQATH-AWEZNQCLSA-N 1 2 369.421 4.113 20 30 FIEDLO CC1(C#N)CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425672985 1099505165 /nfs/dbraw/zinc/50/51/65/1099505165.db2.gz MFMIJPGWVUKBBV-UHFFFAOYSA-N 1 2 363.465 4.044 20 30 FIEDLO CCOc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OCC ZINC000459465720 1100208719 /nfs/dbraw/zinc/20/87/19/1100208719.db2.gz JDMZWULVQPYSHM-AWEZNQCLSA-N 1 2 369.421 4.115 20 30 FIEDLO CCc1ccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000536742858 1100252628 /nfs/dbraw/zinc/25/26/28/1100252628.db2.gz BYYLRDJZTQYYEO-KRWDZBQOSA-N 1 2 359.473 4.237 20 30 FIEDLO CCc1ccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000536742858 1100252632 /nfs/dbraw/zinc/25/26/32/1100252632.db2.gz BYYLRDJZTQYYEO-KRWDZBQOSA-N 1 2 359.473 4.237 20 30 FIEDLO C=CC[N@H+](Cc1c(F)cccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529813 1100469309 /nfs/dbraw/zinc/46/93/09/1100469309.db2.gz WFXRHUWYGUCOEA-CQSZACIVSA-N 1 2 371.847 4.204 20 30 FIEDLO C=CC[N@@H+](Cc1c(F)cccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529813 1100469312 /nfs/dbraw/zinc/46/93/12/1100469312.db2.gz WFXRHUWYGUCOEA-CQSZACIVSA-N 1 2 371.847 4.204 20 30 FIEDLO O=C(Nc1ccccc1)[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000438668206 1100845316 /nfs/dbraw/zinc/84/53/16/1100845316.db2.gz MSNYALZSGRLAIN-JOCHJYFZSA-N 1 2 358.416 4.147 20 30 FIEDLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000509580855 1100973975 /nfs/dbraw/zinc/97/39/75/1100973975.db2.gz TZSQHPMWAGDJKF-KRWDZBQOSA-N 1 2 358.445 4.026 20 30 FIEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000509587277 1100985343 /nfs/dbraw/zinc/98/53/43/1100985343.db2.gz QHHRCNOCHQTCEL-CQSZACIVSA-N 1 2 354.417 4.075 20 30 FIEDLO CCOc1cc(F)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(F)c1 ZINC001143564727 1101005967 /nfs/dbraw/zinc/00/59/67/1101005967.db2.gz KASBDQOEMKKAHF-UHFFFAOYSA-N 1 2 356.416 4.421 20 30 FIEDLO C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1cccc(C#N)c1 ZINC000102397091 1101404712 /nfs/dbraw/zinc/40/47/12/1101404712.db2.gz TYOAFHOWTWLVIR-UHFFFAOYSA-N 1 2 363.442 4.042 20 30 FIEDLO C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1cccc(C#N)c1 ZINC000102397091 1101404719 /nfs/dbraw/zinc/40/47/19/1101404719.db2.gz TYOAFHOWTWLVIR-UHFFFAOYSA-N 1 2 363.442 4.042 20 30 FIEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1OC(F)F ZINC000439440533 1101440953 /nfs/dbraw/zinc/44/09/53/1101440953.db2.gz IHPRVLSOMIWWBO-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1OC(F)F ZINC000439440533 1101440961 /nfs/dbraw/zinc/44/09/61/1101440961.db2.gz IHPRVLSOMIWWBO-UHFFFAOYSA-N 1 2 366.795 4.454 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2cccc(F)c2o1 ZINC000475714669 1101452488 /nfs/dbraw/zinc/45/24/88/1101452488.db2.gz JHZIPUWZNVXWAW-LBPRGKRZSA-N 1 2 362.364 4.344 20 30 FIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1F ZINC000610313340 1101755670 /nfs/dbraw/zinc/75/56/70/1101755670.db2.gz PJZVBTITMNWLBL-UHFFFAOYSA-N 1 2 364.380 4.105 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105033962 1102792276 /nfs/dbraw/zinc/79/22/76/1102792276.db2.gz ZLTSAFQKERUBAV-UHFFFAOYSA-N 1 2 354.454 4.050 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000427011539 1103164877 /nfs/dbraw/zinc/16/48/77/1103164877.db2.gz GXDZEACIUSXLHU-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000427011539 1103164882 /nfs/dbraw/zinc/16/48/82/1103164882.db2.gz GXDZEACIUSXLHU-OAQYLSRUSA-N 1 2 367.855 4.286 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1Cl ZINC000551570398 1103373085 /nfs/dbraw/zinc/37/30/85/1103373085.db2.gz FSSRIRPEDVELLX-OAHLLOKOSA-N 1 2 350.853 4.307 20 30 FIEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1O ZINC000507669064 1103587283 /nfs/dbraw/zinc/58/72/83/1103587283.db2.gz MTIWTCFFQOUXBL-FQEVSTJZSA-N 1 2 373.880 4.356 20 30 FIEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1O ZINC000507669064 1103587300 /nfs/dbraw/zinc/58/73/00/1103587300.db2.gz MTIWTCFFQOUXBL-FQEVSTJZSA-N 1 2 373.880 4.356 20 30 FIEDLO C=CC[N@@H+](Cc1sc2c(cccc2Cl)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000507716203 1103656706 /nfs/dbraw/zinc/65/67/06/1103656706.db2.gz HCNASYJMVKESQC-ZDUSSCGKSA-N 1 2 369.939 4.038 20 30 FIEDLO C=CC[N@H+](Cc1sc2c(cccc2Cl)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000507716203 1103656758 /nfs/dbraw/zinc/65/67/58/1103656758.db2.gz HCNASYJMVKESQC-ZDUSSCGKSA-N 1 2 369.939 4.038 20 30 FIEDLO N#Cc1ccc(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000538227929 1104048990 /nfs/dbraw/zinc/04/89/90/1104048990.db2.gz LENPJZLWEJMDQT-UHFFFAOYSA-N 1 2 360.244 4.082 20 30 FIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000441339039 1104283293 /nfs/dbraw/zinc/28/32/93/1104283293.db2.gz UONMTVHNMRLZQC-OAHLLOKOSA-N 1 2 357.860 4.230 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCC(F)(F)CC3)n2)C1 ZINC000328856751 1104580328 /nfs/dbraw/zinc/58/03/28/1104580328.db2.gz DBUMDNZASDLZOJ-LBPRGKRZSA-N 1 2 372.485 4.279 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(F)(F)CC3)n2)C1 ZINC000328856751 1104580332 /nfs/dbraw/zinc/58/03/32/1104580332.db2.gz DBUMDNZASDLZOJ-LBPRGKRZSA-N 1 2 372.485 4.279 20 30 FIEDLO CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(F)cc1 ZINC000330788048 1104677855 /nfs/dbraw/zinc/67/78/55/1104677855.db2.gz YBJRIMJNCHHQAR-SFHVURJKSA-N 1 2 359.489 4.045 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000441451073 1104742143 /nfs/dbraw/zinc/74/21/43/1104742143.db2.gz URILOPXOMIXOJG-OAQYLSRUSA-N 1 2 355.432 4.105 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170974249 1104979913 /nfs/dbraw/zinc/97/99/13/1104979913.db2.gz WVUPRFYUZDVLFF-HNNXBMFYSA-N 1 2 362.458 4.376 20 30 FIEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625456 1106874606 /nfs/dbraw/zinc/87/46/06/1106874606.db2.gz DESVHXNWADLHDT-CALCHBBNSA-N 1 2 359.514 4.162 20 30 FIEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625456 1106874621 /nfs/dbraw/zinc/87/46/21/1106874621.db2.gz DESVHXNWADLHDT-CALCHBBNSA-N 1 2 359.514 4.162 20 30 FIEDLO C=CCC1(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000665625440 1106875319 /nfs/dbraw/zinc/87/53/19/1106875319.db2.gz CSWIHVJRZVYUAS-HDICACEKSA-N 1 2 371.525 4.306 20 30 FIEDLO C=CCC1(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000665625440 1106875340 /nfs/dbraw/zinc/87/53/40/1106875340.db2.gz CSWIHVJRZVYUAS-HDICACEKSA-N 1 2 371.525 4.306 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(OC)cc1 ZINC000054271998 1107203407 /nfs/dbraw/zinc/20/34/07/1107203407.db2.gz VTLLMHVGLHGQFA-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(OC)cc1 ZINC000054271998 1107203414 /nfs/dbraw/zinc/20/34/14/1107203414.db2.gz VTLLMHVGLHGQFA-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1Cl ZINC000531205094 1107646476 /nfs/dbraw/zinc/64/64/76/1107646476.db2.gz WMMHCOILIBZIJL-CABCVRRESA-N 1 2 373.859 4.465 20 30 FIEDLO C=CC[C@H]1N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCC1(C)C ZINC000444847281 1108212479 /nfs/dbraw/zinc/21/24/79/1108212479.db2.gz JIOMQJNLQWJGHG-HXUWFJFHSA-N 1 2 366.509 4.208 20 30 FIEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)sc1Br ZINC000453276489 1108351341 /nfs/dbraw/zinc/35/13/41/1108351341.db2.gz ZSZDPTJGSFZQIJ-QMMMGPOBSA-N 1 2 354.248 4.076 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000523769750 1108521814 /nfs/dbraw/zinc/52/18/14/1108521814.db2.gz ZDZTWIYFTUDTCT-UHFFFAOYSA-N 1 2 362.433 4.149 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000526007948 1109587021 /nfs/dbraw/zinc/58/70/21/1109587021.db2.gz HVLMYOFMSQLNOS-OAHLLOKOSA-N 1 2 353.466 4.232 20 30 FIEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000526007948 1109587023 /nfs/dbraw/zinc/58/70/23/1109587023.db2.gz HVLMYOFMSQLNOS-OAHLLOKOSA-N 1 2 353.466 4.232 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000527481814 1109764874 /nfs/dbraw/zinc/76/48/74/1109764874.db2.gz OKQCUTSOTICBCA-GOSISDBHSA-N 1 2 353.510 4.124 20 30 FIEDLO COc1cc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000449041372 1109963038 /nfs/dbraw/zinc/96/30/38/1109963038.db2.gz MTKXYCFLEMKYFA-QHCPKHFHSA-N 1 2 358.441 4.294 20 30 FIEDLO COc1cc2ccccc2cc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000449041372 1109963039 /nfs/dbraw/zinc/96/30/39/1109963039.db2.gz MTKXYCFLEMKYFA-QHCPKHFHSA-N 1 2 358.441 4.294 20 30 FIEDLO Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000449401040 1110058681 /nfs/dbraw/zinc/05/86/81/1110058681.db2.gz LCPFAKIFMXHJDI-UHFFFAOYSA-N 1 2 368.252 4.428 20 30 FIEDLO C[C@@H](C#N)CN(Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610621 1110319649 /nfs/dbraw/zinc/31/96/49/1110319649.db2.gz HEPGAUHFGUYHEJ-IRXDYDNUSA-N 1 2 368.500 4.074 20 30 FIEDLO C[C@@H](C#N)CN(Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1F)C1CC1 ZINC000450610621 1110319651 /nfs/dbraw/zinc/31/96/51/1110319651.db2.gz HEPGAUHFGUYHEJ-IRXDYDNUSA-N 1 2 368.500 4.074 20 30 FIEDLO Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000450672842 1110328337 /nfs/dbraw/zinc/32/83/37/1110328337.db2.gz IJJKVRUYSRGWRJ-ZDUSSCGKSA-N 1 2 369.284 4.368 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC(F)F)c1 ZINC000539220040 1111480498 /nfs/dbraw/zinc/48/04/98/1111480498.db2.gz XWKLZUFPEDLPBK-LBPRGKRZSA-N 1 2 370.359 4.060 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000539390339 1111548413 /nfs/dbraw/zinc/54/84/13/1111548413.db2.gz NQXRRPLIZODVEU-QUCCMNQESA-N 1 2 354.498 4.285 20 30 FIEDLO C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C)[nH+]c1C ZINC000478847841 1111903206 /nfs/dbraw/zinc/90/32/06/1111903206.db2.gz KFGNQLPYCSAYIR-UHFFFAOYSA-N 1 2 366.490 4.347 20 30 FIEDLO CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000553975860 1112148675 /nfs/dbraw/zinc/14/86/75/1112148675.db2.gz RGLDBLXZELMWQO-KRWDZBQOSA-N 1 2 353.491 4.352 20 30 FIEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1Br ZINC000554560034 1112401103 /nfs/dbraw/zinc/40/11/03/1112401103.db2.gz VDEKUOSHYGOVBR-UHFFFAOYSA-N 1 2 370.294 4.210 20 30 FIEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C#N)(c4ccccn4)CC3)o2)cc1 ZINC000554565234 1112403943 /nfs/dbraw/zinc/40/39/43/1112403943.db2.gz HBAAKLIDHJFFPA-KRWDZBQOSA-N 1 2 373.460 4.058 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000554933161 1112570330 /nfs/dbraw/zinc/57/03/30/1112570330.db2.gz PZTGCLGKQGRLIS-KBXCAEBGSA-N 1 2 365.868 4.352 20 30 FIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160442973 1113380000 /nfs/dbraw/zinc/38/00/00/1113380000.db2.gz ZYSWXPBAPYGMLS-KRWDZBQOSA-N 1 2 372.428 4.057 20 30 FIEDLO C=CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000488338368 1113911075 /nfs/dbraw/zinc/91/10/75/1113911075.db2.gz LGUNGPOAFUHSEA-OAQYLSRUSA-N 1 2 363.505 4.438 20 30 FIEDLO Fc1cccc(N2CCCC2)c1C=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000912825098 1114215932 /nfs/dbraw/zinc/21/59/32/1114215932.db2.gz DOTNVNMQFQPWMI-UHFFFAOYSA-N 1 2 359.355 4.026 20 30 FIEDLO Oc1ccc2ccccc2c1/C=N/C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912962660 1114263990 /nfs/dbraw/zinc/26/39/90/1114263990.db2.gz XRUIYIMDXBRCOR-OLCUMFGGSA-N 1 2 360.457 4.038 20 30 FIEDLO C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000589764012 1114837840 /nfs/dbraw/zinc/83/78/40/1114837840.db2.gz JWBIRSCFSVFWPI-NRFANRHFSA-N 1 2 363.465 4.044 20 30 FIEDLO C#CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCc2ccccc21 ZINC000760817296 1115045310 /nfs/dbraw/zinc/04/53/10/1115045310.db2.gz DUQKIKHPKMUGPW-NRFANRHFSA-N 1 2 373.412 4.373 20 30 FIEDLO C#CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCc2ccccc21 ZINC000760817296 1115045313 /nfs/dbraw/zinc/04/53/13/1115045313.db2.gz DUQKIKHPKMUGPW-NRFANRHFSA-N 1 2 373.412 4.373 20 30 FIEDLO N#CC[C@H](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000574579413 1115418518 /nfs/dbraw/zinc/41/85/18/1115418518.db2.gz HDTXMGIEIPNNOP-VAMGGRTRSA-N 1 2 362.477 4.008 20 30 FIEDLO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000059423143 1115510899 /nfs/dbraw/zinc/51/08/99/1115510899.db2.gz PHSHYJXOVTYMDS-UHFFFAOYSA-N 1 2 352.478 4.125 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000059423143 1115510902 /nfs/dbraw/zinc/51/09/02/1115510902.db2.gz PHSHYJXOVTYMDS-UHFFFAOYSA-N 1 2 352.478 4.125 20 30 FIEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609084 1115553171 /nfs/dbraw/zinc/55/31/71/1115553171.db2.gz FVZMZGFYCLTWAX-ZDUSSCGKSA-N 1 2 360.454 4.343 20 30 FIEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609084 1115553173 /nfs/dbraw/zinc/55/31/73/1115553173.db2.gz FVZMZGFYCLTWAX-ZDUSSCGKSA-N 1 2 360.454 4.343 20 30 FIEDLO CC(C)(C#N)CCCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000595875618 1115567327 /nfs/dbraw/zinc/56/73/27/1115567327.db2.gz BDMGBCDQADWHQE-UHFFFAOYSA-N 1 2 351.288 4.364 20 30 FIEDLO CC(C)(C#N)CCCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000595875618 1115567329 /nfs/dbraw/zinc/56/73/29/1115567329.db2.gz BDMGBCDQADWHQE-UHFFFAOYSA-N 1 2 351.288 4.364 20 30 FIEDLO Cc1cc(N(C)C)nc(NC2=C(c3ccccc3)C(=O)c3ccccc32)[nH+]1 ZINC001168410259 1115614872 /nfs/dbraw/zinc/61/48/72/1115614872.db2.gz GEGFYSIOFOQTSW-UHFFFAOYSA-N 1 2 356.429 4.028 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccc(F)cc4F)C3)cc2)CC1 ZINC000597092042 1115640011 /nfs/dbraw/zinc/64/00/11/1115640011.db2.gz JAWBNCNLVMQDQK-FQEVSTJZSA-N 1 2 354.400 4.093 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccc(F)cc4F)C3)cc2)CC1 ZINC000597092042 1115640013 /nfs/dbraw/zinc/64/00/13/1115640013.db2.gz JAWBNCNLVMQDQK-FQEVSTJZSA-N 1 2 354.400 4.093 20 30 FIEDLO C[C@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602805709 1115725581 /nfs/dbraw/zinc/72/55/81/1115725581.db2.gz ORUXEZJEXANKOT-HNNXBMFYSA-N 1 2 358.445 4.412 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000599679001 1115837500 /nfs/dbraw/zinc/83/75/00/1115837500.db2.gz NOXHMENIKLEKIU-UHFFFAOYSA-N 1 2 351.500 4.496 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000599679001 1115837503 /nfs/dbraw/zinc/83/75/03/1115837503.db2.gz NOXHMENIKLEKIU-UHFFFAOYSA-N 1 2 351.500 4.496 20 30 FIEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685601 1115837977 /nfs/dbraw/zinc/83/79/77/1115837977.db2.gz HTXYNWLGJUDQOF-UHFFFAOYSA-N 1 2 361.489 4.047 20 30 FIEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685601 1115837982 /nfs/dbraw/zinc/83/79/82/1115837982.db2.gz HTXYNWLGJUDQOF-UHFFFAOYSA-N 1 2 361.489 4.047 20 30 FIEDLO C=CCOc1ccc(/C=C\C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000229856235 1115870790 /nfs/dbraw/zinc/87/07/90/1115870790.db2.gz RYYQTFBQQBFICD-NTMALXAHSA-N 1 2 352.434 4.232 20 30 FIEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)s1 ZINC000061783006 1115872896 /nfs/dbraw/zinc/87/28/96/1115872896.db2.gz GMMJWRTWGSLGKN-UHFFFAOYSA-N 1 2 361.898 4.170 20 30 FIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)s1 ZINC000061783006 1115872899 /nfs/dbraw/zinc/87/28/99/1115872899.db2.gz GMMJWRTWGSLGKN-UHFFFAOYSA-N 1 2 361.898 4.170 20 30 FIEDLO CCOc1ccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)cc1 ZINC000594033157 1115965920 /nfs/dbraw/zinc/96/59/20/1115965920.db2.gz XEMXBMGOPMNHDT-UHFFFAOYSA-N 1 2 374.444 4.176 20 30 FIEDLO C=CCn1c(=S)n(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1cccnc1 ZINC000172938393 1116010212 /nfs/dbraw/zinc/01/02/12/1116010212.db2.gz WMKCRIXPDJYRFZ-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=CCn1c(=S)n(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1cccnc1 ZINC000172938393 1116010214 /nfs/dbraw/zinc/01/02/14/1116010214.db2.gz WMKCRIXPDJYRFZ-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609061272 1116155009 /nfs/dbraw/zinc/15/50/09/1116155009.db2.gz YABTWWYFXFWBSB-UHFFFAOYSA-N 1 2 374.444 4.061 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1C#N ZINC000534475383 1116206949 /nfs/dbraw/zinc/20/69/49/1116206949.db2.gz XCVFMYHKCQSDAC-UHFFFAOYSA-N 1 2 356.425 4.224 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000535375023 1116300809 /nfs/dbraw/zinc/30/08/09/1116300809.db2.gz JNHOVFUXUPATJV-ZDUSSCGKSA-N 1 2 357.523 4.114 20 30 FIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000535375023 1116300811 /nfs/dbraw/zinc/30/08/11/1116300811.db2.gz JNHOVFUXUPATJV-ZDUSSCGKSA-N 1 2 357.523 4.114 20 30 FIEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccc(F)cc1Cl ZINC000442888010 1116325162 /nfs/dbraw/zinc/32/51/62/1116325162.db2.gz CTLCFUMRNZMCJY-UHFFFAOYSA-N 1 2 362.832 4.008 20 30 FIEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccc(F)cc1Cl ZINC000442888010 1116325163 /nfs/dbraw/zinc/32/51/63/1116325163.db2.gz CTLCFUMRNZMCJY-UHFFFAOYSA-N 1 2 362.832 4.008 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000539703745 1116367856 /nfs/dbraw/zinc/36/78/56/1116367856.db2.gz ARSHWHVSHLTOBF-UHFFFAOYSA-N 1 2 355.363 4.237 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539766387 1116377377 /nfs/dbraw/zinc/37/73/77/1116377377.db2.gz VGMXFXGZFMZHKL-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539766387 1116377378 /nfs/dbraw/zinc/37/73/78/1116377378.db2.gz VGMXFXGZFMZHKL-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1F ZINC000539765476 1116377394 /nfs/dbraw/zinc/37/73/94/1116377394.db2.gz HQTYBOTVATUCAH-SFHVURJKSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1F ZINC000539765476 1116377396 /nfs/dbraw/zinc/37/73/96/1116377396.db2.gz HQTYBOTVATUCAH-SFHVURJKSA-N 1 2 367.472 4.243 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818269 1116384703 /nfs/dbraw/zinc/38/47/03/1116384703.db2.gz OJSWIXGJGPSFKR-QVKFZJNVSA-N 1 2 371.452 4.230 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818269 1116384705 /nfs/dbraw/zinc/38/47/05/1116384705.db2.gz OJSWIXGJGPSFKR-QVKFZJNVSA-N 1 2 371.452 4.230 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000540455604 1118073879 /nfs/dbraw/zinc/07/38/79/1118073879.db2.gz MHBAXKCABSGDQO-AWEZNQCLSA-N 1 2 374.481 4.402 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864598 1118283896 /nfs/dbraw/zinc/28/38/96/1118283896.db2.gz XWRILJHOCVSVIM-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864598 1118283901 /nfs/dbraw/zinc/28/39/01/1118283901.db2.gz XWRILJHOCVSVIM-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864604 1118284149 /nfs/dbraw/zinc/28/41/49/1118284149.db2.gz XWRILJHOCVSVIM-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864604 1118284154 /nfs/dbraw/zinc/28/41/54/1118284154.db2.gz XWRILJHOCVSVIM-QGZVFWFLSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000460336065 1118349032 /nfs/dbraw/zinc/34/90/32/1118349032.db2.gz QMVQSEYQOMTWSK-UHFFFAOYSA-N 1 2 372.359 4.390 20 30 FIEDLO C=CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1 ZINC000541072042 1118369739 /nfs/dbraw/zinc/36/97/39/1118369739.db2.gz URRGEJRHZPUQAU-UHFFFAOYSA-N 1 2 362.429 4.316 20 30 FIEDLO C=CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1 ZINC000541072042 1118369743 /nfs/dbraw/zinc/36/97/43/1118369743.db2.gz URRGEJRHZPUQAU-UHFFFAOYSA-N 1 2 362.429 4.316 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000030581106 1119035116 /nfs/dbraw/zinc/03/51/16/1119035116.db2.gz QMDSWTAFCZXZFW-OAHLLOKOSA-N 1 2 371.506 4.192 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000030581106 1119035118 /nfs/dbraw/zinc/03/51/18/1119035118.db2.gz QMDSWTAFCZXZFW-OAHLLOKOSA-N 1 2 371.506 4.192 20 30 FIEDLO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cc1 ZINC000492379879 1119080177 /nfs/dbraw/zinc/08/01/77/1119080177.db2.gz ZBJGOSDAHCCHBG-UHFFFAOYSA-N 1 2 359.267 4.351 20 30 FIEDLO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cc1 ZINC000492379879 1119080181 /nfs/dbraw/zinc/08/01/81/1119080181.db2.gz ZBJGOSDAHCCHBG-UHFFFAOYSA-N 1 2 359.267 4.351 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790172 1119189357 /nfs/dbraw/zinc/18/93/57/1119189357.db2.gz OYDVUMICRNTTAP-RTBURBONSA-N 1 2 365.433 4.265 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790172 1119189362 /nfs/dbraw/zinc/18/93/62/1119189362.db2.gz OYDVUMICRNTTAP-RTBURBONSA-N 1 2 365.433 4.265 20 30 FIEDLO C=CC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000494978249 1120416796 /nfs/dbraw/zinc/41/67/96/1120416796.db2.gz ITRCGEZHAMHVGG-UHFFFAOYSA-N 1 2 355.419 4.500 20 30 FIEDLO C=CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000494978249 1120416799 /nfs/dbraw/zinc/41/67/99/1120416799.db2.gz ITRCGEZHAMHVGG-UHFFFAOYSA-N 1 2 355.419 4.500 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723883 1122376434 /nfs/dbraw/zinc/37/64/34/1122376434.db2.gz YUFWAOVNJWKDQK-SJORKVTESA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723883 1122376437 /nfs/dbraw/zinc/37/64/37/1122376437.db2.gz YUFWAOVNJWKDQK-SJORKVTESA-N 1 2 352.881 4.333 20 30 FIEDLO C=CCN(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000918067897 1122542763 /nfs/dbraw/zinc/54/27/63/1122542763.db2.gz PVPLZVBVFCIVSX-QGZVFWFLSA-N 1 2 367.896 4.222 20 30 FIEDLO CCCCCCC[C@@H](C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000918137150 1122568775 /nfs/dbraw/zinc/56/87/75/1122568775.db2.gz WKRHMPAQFLXHBE-GOSISDBHSA-N 1 2 360.546 4.346 20 30 FIEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C4(C#N)CC4)cc3)c2c1 ZINC001212251758 1123553584 /nfs/dbraw/zinc/55/35/84/1123553584.db2.gz TULUOSIWGLWKLN-UHFFFAOYSA-N 1 2 357.413 4.132 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c1C ZINC000064344290 1123710196 /nfs/dbraw/zinc/71/01/96/1123710196.db2.gz LNZKPTIHEJRNIS-UHFFFAOYSA-N 1 2 372.534 4.336 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(SC)c(OC)c2)c1C ZINC000064344290 1123710200 /nfs/dbraw/zinc/71/02/00/1123710200.db2.gz LNZKPTIHEJRNIS-UHFFFAOYSA-N 1 2 372.534 4.336 20 30 FIEDLO CCCCn1c(SCC#Cc2ccc(F)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000135233883 1123728042 /nfs/dbraw/zinc/72/80/42/1123728042.db2.gz HQFMIGVCOHBOAQ-GOSISDBHSA-N 1 2 374.529 4.374 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788088 1124076629 /nfs/dbraw/zinc/07/66/29/1124076629.db2.gz AYAVQMXSRRNKLW-CYBMUJFWSA-N 1 2 359.813 4.171 20 30 FIEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788088 1124076635 /nfs/dbraw/zinc/07/66/35/1124076635.db2.gz AYAVQMXSRRNKLW-CYBMUJFWSA-N 1 2 359.813 4.171 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000108085023 1124233732 /nfs/dbraw/zinc/23/37/32/1124233732.db2.gz YDSMFPRHUOOBCC-GOSISDBHSA-N 1 2 367.468 4.382 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccc2F)c1 ZINC000108085023 1124233737 /nfs/dbraw/zinc/23/37/37/1124233737.db2.gz YDSMFPRHUOOBCC-GOSISDBHSA-N 1 2 367.468 4.382 20 30 FIEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CCNc3ccccc32)[nH+]1 ZINC001168645216 1124266040 /nfs/dbraw/zinc/26/60/40/1124266040.db2.gz KQBIJAFOQMIAKP-UEGQJUKWSA-N 1 2 370.522 4.240 20 30 FIEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000302862013 1124361504 /nfs/dbraw/zinc/36/15/04/1124361504.db2.gz VTSUDMHABZQSNI-UHFFFAOYSA-N 1 2 355.445 4.228 20 30 FIEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302862013 1124361505 /nfs/dbraw/zinc/36/15/05/1124361505.db2.gz VTSUDMHABZQSNI-UHFFFAOYSA-N 1 2 355.445 4.228 20 30 FIEDLO CCc1sc(-c2nnc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cc1C ZINC000554841417 1124526340 /nfs/dbraw/zinc/52/63/40/1124526340.db2.gz GUIFFVYDWXENCS-CYBMUJFWSA-N 1 2 352.463 4.391 20 30 FIEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602691448 568015300 /nfs/dbraw/zinc/01/53/00/568015300.db2.gz GIXITVILSJCOKQ-GUYCJALGSA-N 1 2 362.399 4.304 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793877 568127406 /nfs/dbraw/zinc/12/74/06/568127406.db2.gz HHBQWCUQTNAPMB-HNNXBMFYSA-N 1 2 365.864 4.328 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793877 568127407 /nfs/dbraw/zinc/12/74/07/568127407.db2.gz HHBQWCUQTNAPMB-HNNXBMFYSA-N 1 2 365.864 4.328 20 30 FIEDLO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570055537 568448965 /nfs/dbraw/zinc/44/89/65/568448965.db2.gz YZVCFGLKYKQMEC-QGZVFWFLSA-N 1 2 372.266 4.061 20 30 FIEDLO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570055537 568448966 /nfs/dbraw/zinc/44/89/66/568448966.db2.gz YZVCFGLKYKQMEC-QGZVFWFLSA-N 1 2 372.266 4.061 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ncc(Br)cc1F ZINC000619755927 1125681927 /nfs/dbraw/zinc/68/19/27/1125681927.db2.gz ZHHMSYJJIXGXGF-VIFPVBQESA-N 1 2 368.637 4.359 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000619792801 1125707065 /nfs/dbraw/zinc/70/70/65/1125707065.db2.gz WOOLZWKVDIQOLL-HNNXBMFYSA-N 1 2 363.852 4.154 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC001167099944 1080448130 /nfs/dbraw/zinc/44/81/30/1080448130.db2.gz BFFUFZBLSAGEPU-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC001167099944 1080448133 /nfs/dbraw/zinc/44/81/33/1080448133.db2.gz BFFUFZBLSAGEPU-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCCc2ccccc21 ZINC000328648573 1080682833 /nfs/dbraw/zinc/68/28/33/1080682833.db2.gz IFRFXBDBLNRJFK-HXUWFJFHSA-N 1 2 364.493 4.153 20 30 FIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cn(-c2ccccc2)nn1 ZINC000580019829 1081435009 /nfs/dbraw/zinc/43/50/09/1081435009.db2.gz TWNRCRXXEYURTH-CYBMUJFWSA-N 1 2 371.366 4.009 20 30 FIEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000165575782 1082434654 /nfs/dbraw/zinc/43/46/54/1082434654.db2.gz UNFJFMWRSSUDGU-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187469736 1082983498 /nfs/dbraw/zinc/98/34/98/1082983498.db2.gz JQPJAACAUOUAKA-HNNXBMFYSA-N 1 2 368.790 4.264 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187469736 1082983500 /nfs/dbraw/zinc/98/35/00/1082983500.db2.gz JQPJAACAUOUAKA-HNNXBMFYSA-N 1 2 368.790 4.264 20 30 FIEDLO C=C1CC[NH+]([C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)CC1 ZINC000520850776 1083010798 /nfs/dbraw/zinc/01/07/98/1083010798.db2.gz WEUDKYMIYUVEMS-OAQYLSRUSA-N 1 2 350.462 4.417 20 30 FIEDLO Cn1cc(C[N@@H+]2CCc3sc(Cl)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000581941711 1083087332 /nfs/dbraw/zinc/08/73/32/1083087332.db2.gz ZUEZGJFOHLYAQQ-UHFFFAOYSA-N 1 2 368.893 4.232 20 30 FIEDLO Cn1cc(C[N@H+]2CCc3sc(Cl)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000581941711 1083087341 /nfs/dbraw/zinc/08/73/41/1083087341.db2.gz ZUEZGJFOHLYAQQ-UHFFFAOYSA-N 1 2 368.893 4.232 20 30 FIEDLO Cc1csc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCC2)n1 ZINC000276846814 1083325307 /nfs/dbraw/zinc/32/53/07/1083325307.db2.gz DBKOUKVPAMMRKS-UHFFFAOYSA-N 1 2 362.296 4.255 20 30 FIEDLO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646428 1083462617 /nfs/dbraw/zinc/46/26/17/1083462617.db2.gz BOYCSBCCMZGCNB-UHFFFAOYSA-N 1 2 366.446 4.302 20 30 FIEDLO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646428 1083462623 /nfs/dbraw/zinc/46/26/23/1083462623.db2.gz BOYCSBCCMZGCNB-UHFFFAOYSA-N 1 2 366.446 4.302 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000548486215 1083476822 /nfs/dbraw/zinc/47/68/22/1083476822.db2.gz NAJKWEQDSTYENC-INIZCTEOSA-N 1 2 354.759 4.054 20 30 FIEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000612404316 1083778211 /nfs/dbraw/zinc/77/82/11/1083778211.db2.gz CWQGFBMDSSEUFL-QFIPXVFZSA-N 1 2 357.461 4.060 20 30 FIEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000612404316 1083778218 /nfs/dbraw/zinc/77/82/18/1083778218.db2.gz CWQGFBMDSSEUFL-QFIPXVFZSA-N 1 2 357.461 4.060 20 30 FIEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610953115 1083875947 /nfs/dbraw/zinc/87/59/47/1083875947.db2.gz TXRHKTVPDYKFRK-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610953115 1083875954 /nfs/dbraw/zinc/87/59/54/1083875954.db2.gz TXRHKTVPDYKFRK-BETUJISGSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1ccc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2ccccc2Cl)cc1 ZINC000610956807 1083881452 /nfs/dbraw/zinc/88/14/52/1083881452.db2.gz JHVVUXNIBHFHNI-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1C#N ZINC000535895193 1083937499 /nfs/dbraw/zinc/93/74/99/1083937499.db2.gz SZQLBLOXOPQKMH-QFIPXVFZSA-N 1 2 374.415 4.363 20 30 FIEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccnc(C#N)c1)[C@H](c1ccccc1)C2 ZINC000610994572 1083947429 /nfs/dbraw/zinc/94/74/29/1083947429.db2.gz VBKSRZDIRHMASW-QHCPKHFHSA-N 1 2 355.441 4.261 20 30 FIEDLO COc1ccc2c(c1)C[N@H+](Cc1ccnc(C#N)c1)[C@H](c1ccccc1)C2 ZINC000610994572 1083947430 /nfs/dbraw/zinc/94/74/30/1083947430.db2.gz VBKSRZDIRHMASW-QHCPKHFHSA-N 1 2 355.441 4.261 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711530 1084112554 /nfs/dbraw/zinc/11/25/54/1084112554.db2.gz CSXQZZPWPJPWDP-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000187711530 1084112561 /nfs/dbraw/zinc/11/25/61/1084112561.db2.gz CSXQZZPWPJPWDP-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000580727143 1084456238 /nfs/dbraw/zinc/45/62/38/1084456238.db2.gz KWDVBQRJBUMHPP-UHFFFAOYSA-N 1 2 372.415 4.175 20 30 FIEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(SCCC#N)n1 ZINC000413472413 1084921412 /nfs/dbraw/zinc/92/14/12/1084921412.db2.gz PHRPXTRLVIRKRH-UHFFFAOYSA-N 1 2 354.504 4.426 20 30 FIEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178591098 1085068709 /nfs/dbraw/zinc/06/87/09/1085068709.db2.gz YZLRSJVZQGSWLO-UHFFFAOYSA-N 1 2 356.429 4.319 20 30 FIEDLO COC(=O)c1ccc(Cl)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000511150778 1085101177 /nfs/dbraw/zinc/10/11/77/1085101177.db2.gz QSTKPUGZTKUWJO-UHFFFAOYSA-N 1 2 354.837 4.163 20 30 FIEDLO COC(=O)c1ccc(Cl)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000511150778 1085101179 /nfs/dbraw/zinc/10/11/79/1085101179.db2.gz QSTKPUGZTKUWJO-UHFFFAOYSA-N 1 2 354.837 4.163 20 30 FIEDLO N#Cc1ccc(N2CCC(Nc3ccc(N4CCCCC4)c[nH+]3)CC2)cc1 ZINC000583016182 1086026806 /nfs/dbraw/zinc/02/68/06/1086026806.db2.gz OIFJJEIIBMNBJW-UHFFFAOYSA-N 1 2 361.493 4.024 20 30 FIEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247969520 1086204755 /nfs/dbraw/zinc/20/47/55/1086204755.db2.gz FLAYPRDTCINSOV-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000247969520 1086204763 /nfs/dbraw/zinc/20/47/63/1086204763.db2.gz FLAYPRDTCINSOV-IFXJQAMLSA-N 1 2 358.388 4.294 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563912 1086632765 /nfs/dbraw/zinc/63/27/65/1086632765.db2.gz XIZPKMHJDGEIFF-GOSISDBHSA-N 1 2 354.523 4.407 20 30 FIEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728563912 1086632767 /nfs/dbraw/zinc/63/27/67/1086632767.db2.gz XIZPKMHJDGEIFF-GOSISDBHSA-N 1 2 354.523 4.407 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000583639594 1086890427 /nfs/dbraw/zinc/89/04/27/1086890427.db2.gz LKGKHYOUDHMJAI-KRWDZBQOSA-N 1 2 367.518 4.096 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000583639594 1086890441 /nfs/dbraw/zinc/89/04/41/1086890441.db2.gz LKGKHYOUDHMJAI-KRWDZBQOSA-N 1 2 367.518 4.096 20 30 FIEDLO C=C(CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1ccccc1 ZINC000685215921 1086991616 /nfs/dbraw/zinc/99/16/16/1086991616.db2.gz WFRXOJUVDLSKHB-UHFFFAOYSA-N 1 2 371.484 4.056 20 30 FIEDLO C=C(CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1ccccc1 ZINC000685215921 1086991618 /nfs/dbraw/zinc/99/16/18/1086991618.db2.gz WFRXOJUVDLSKHB-UHFFFAOYSA-N 1 2 371.484 4.056 20 30 FIEDLO C=CCCc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000505028854 1088069098 /nfs/dbraw/zinc/06/90/98/1088069098.db2.gz JGCYNJNFEQSTDW-GOSISDBHSA-N 1 2 364.493 4.111 20 30 FIEDLO N#CCCCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000588283796 1088499428 /nfs/dbraw/zinc/49/94/28/1088499428.db2.gz ORNPJCACRIZSAV-QGZVFWFLSA-N 1 2 365.880 4.206 20 30 FIEDLO CC(=[NH+]NCc1ccc(Br)cc1)c1ccc(N)cc1Cl ZINC000782903636 1088552975 /nfs/dbraw/zinc/55/29/75/1088552975.db2.gz CVJLSAHNGZYSNY-UHFFFAOYSA-N 1 2 352.663 4.199 20 30 FIEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cccc1Cl ZINC000505480565 1088954065 /nfs/dbraw/zinc/95/40/65/1088954065.db2.gz NQJIYYHDGQKSDF-MRXNPFEDSA-N 1 2 371.227 4.174 20 30 FIEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670281 1089035997 /nfs/dbraw/zinc/03/59/97/1089035997.db2.gz QVFVFKUEUHRYEY-RHSMWYFYSA-N 1 2 371.308 4.114 20 30 FIEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670281 1089036015 /nfs/dbraw/zinc/03/60/15/1089036015.db2.gz QVFVFKUEUHRYEY-RHSMWYFYSA-N 1 2 371.308 4.114 20 30 FIEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000892973889 1089533830 /nfs/dbraw/zinc/53/38/30/1089533830.db2.gz XXDFBQKTNBFZAP-CYBMUJFWSA-N 1 2 355.385 4.133 20 30 FIEDLO C=CC[C@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000188166697 1091326771 /nfs/dbraw/zinc/32/67/71/1091326771.db2.gz FZXCCDRYKZJUSD-NRFANRHFSA-N 1 2 364.489 4.126 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106241609 1091991930 /nfs/dbraw/zinc/99/19/30/1091991930.db2.gz CYGWQUIRTHGATC-NEPJUHHUSA-N 1 2 374.535 4.023 20 30 FIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C#N)ccc2C)c(C)c1 ZINC000442193474 1092490783 /nfs/dbraw/zinc/49/07/83/1092490783.db2.gz ILLOUVUVCPDVJU-NRFANRHFSA-N 1 2 373.460 4.243 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000512541286 1092682262 /nfs/dbraw/zinc/68/22/62/1092682262.db2.gz DYFONGQTYMHCIG-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000512541286 1092682275 /nfs/dbraw/zinc/68/22/75/1092682275.db2.gz DYFONGQTYMHCIG-UHFFFAOYSA-N 1 2 352.404 4.456 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000549770650 1092761190 /nfs/dbraw/zinc/76/11/90/1092761190.db2.gz UUZLKNVGAVMXFF-UHFFFAOYSA-N 1 2 354.519 4.236 20 30 FIEDLO C=CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1cccs1 ZINC000549770650 1092761198 /nfs/dbraw/zinc/76/11/98/1092761198.db2.gz UUZLKNVGAVMXFF-UHFFFAOYSA-N 1 2 354.519 4.236 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512548196 1092906500 /nfs/dbraw/zinc/90/65/00/1092906500.db2.gz YTJXULUWXVPFNP-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000512548196 1092906502 /nfs/dbraw/zinc/90/65/02/1092906502.db2.gz YTJXULUWXVPFNP-LJQANCHMSA-N 1 2 368.525 4.486 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1C#N ZINC000443067146 1092925826 /nfs/dbraw/zinc/92/58/26/1092925826.db2.gz LHKIVSOQEWNSNU-GOSISDBHSA-N 1 2 366.852 4.434 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1C#N ZINC000443067146 1092925830 /nfs/dbraw/zinc/92/58/30/1092925830.db2.gz LHKIVSOQEWNSNU-GOSISDBHSA-N 1 2 366.852 4.434 20 30 FIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)n2)cc1 ZINC000443065872 1092926057 /nfs/dbraw/zinc/92/60/57/1092926057.db2.gz GQIKXJXNGJGRPA-AWEZNQCLSA-N 1 2 362.433 4.030 20 30 FIEDLO C[C@@](CO)([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000614168191 1093038505 /nfs/dbraw/zinc/03/85/05/1093038505.db2.gz WZEANDQNWZFLDF-KRWDZBQOSA-N 1 2 368.786 4.228 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C[C@@H](C)C#N)C3CC3)o2)cc1 ZINC000614235764 1093275829 /nfs/dbraw/zinc/27/58/29/1093275829.db2.gz TZIHVFJWDVZPAL-HNNXBMFYSA-N 1 2 352.434 4.247 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C[C@@H](C)C#N)C3CC3)o2)cc1 ZINC000614235764 1093275833 /nfs/dbraw/zinc/27/58/33/1093275833.db2.gz TZIHVFJWDVZPAL-HNNXBMFYSA-N 1 2 352.434 4.247 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)o2)cc1 ZINC000614248067 1093293565 /nfs/dbraw/zinc/29/35/65/1093293565.db2.gz ZFSLNVGUWQLFBR-NRFANRHFSA-N 1 2 352.434 4.249 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)o2)cc1 ZINC000614248067 1093293570 /nfs/dbraw/zinc/29/35/70/1093293570.db2.gz ZFSLNVGUWQLFBR-NRFANRHFSA-N 1 2 352.434 4.249 20 30 FIEDLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509825795 1093463076 /nfs/dbraw/zinc/46/30/76/1093463076.db2.gz DVTDMHGMGWCMHK-LJQANCHMSA-N 1 2 358.489 4.498 20 30 FIEDLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509825795 1093463081 /nfs/dbraw/zinc/46/30/81/1093463081.db2.gz DVTDMHGMGWCMHK-LJQANCHMSA-N 1 2 358.489 4.498 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001141816745 1093596886 /nfs/dbraw/zinc/59/68/86/1093596886.db2.gz KDAXUBZJWYZALQ-UHFFFAOYSA-N 1 2 370.294 4.170 20 30 FIEDLO N#Cc1ccc2ncc(C[N@@H+](Cc3c(F)cccc3F)C3CCCC3)n2c1 ZINC000513478865 1094155831 /nfs/dbraw/zinc/15/58/31/1094155831.db2.gz GNEJXUDFCFLJMV-UHFFFAOYSA-N 1 2 366.415 4.429 20 30 FIEDLO N#Cc1ccc2ncc(C[N@H+](Cc3c(F)cccc3F)C3CCCC3)n2c1 ZINC000513478865 1094155837 /nfs/dbraw/zinc/15/58/37/1094155837.db2.gz GNEJXUDFCFLJMV-UHFFFAOYSA-N 1 2 366.415 4.429 20 30 FIEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056221 1094725025 /nfs/dbraw/zinc/72/50/25/1094725025.db2.gz SOKAIUJUVVSREU-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056221 1094725037 /nfs/dbraw/zinc/72/50/37/1094725037.db2.gz SOKAIUJUVVSREU-MWLCHTKSSA-N 1 2 369.252 4.151 20 30 FIEDLO N#CC1(C[N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000501532464 1094762436 /nfs/dbraw/zinc/76/24/36/1094762436.db2.gz NEMWEBCHNWXXHZ-UHFFFAOYSA-N 1 2 370.880 4.017 20 30 FIEDLO N#CC1(C[N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000501532464 1094762453 /nfs/dbraw/zinc/76/24/53/1094762453.db2.gz NEMWEBCHNWXXHZ-UHFFFAOYSA-N 1 2 370.880 4.017 20 30 FIEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329285536 1094818714 /nfs/dbraw/zinc/81/87/14/1094818714.db2.gz OWFUXAHEAOUYMU-GCJKJVERSA-N 1 2 366.509 4.118 20 30 FIEDLO CC1(C)Cc2nc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)sc2C(=O)C1 ZINC000329337443 1094849111 /nfs/dbraw/zinc/84/91/11/1094849111.db2.gz PUNUXHYDKCPUSE-CQSZACIVSA-N 1 2 361.511 4.293 20 30 FIEDLO CC1(C)Cc2nc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)sc2C(=O)C1 ZINC000329337443 1094849123 /nfs/dbraw/zinc/84/91/23/1094849123.db2.gz PUNUXHYDKCPUSE-CQSZACIVSA-N 1 2 361.511 4.293 20 30 FIEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329514593 1094947547 /nfs/dbraw/zinc/94/75/47/1094947547.db2.gz LYGNWUGAXBEMSS-HNNXBMFYSA-N 1 2 352.482 4.143 20 30 FIEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329514593 1094947549 /nfs/dbraw/zinc/94/75/49/1094947549.db2.gz LYGNWUGAXBEMSS-HNNXBMFYSA-N 1 2 352.482 4.143 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nc3c(s2)CCCC3(C)C)C[C@H]1n1cc[nH+]c1 ZINC000329562233 1094974643 /nfs/dbraw/zinc/97/46/43/1094974643.db2.gz JMIWKJNEUOSOPH-ZIAGYGMSSA-N 1 2 373.526 4.082 20 30 FIEDLO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000329816437 1095277587 /nfs/dbraw/zinc/27/75/87/1095277587.db2.gz OEDVLNNUXRAWEN-WSTZPKSXSA-N 1 2 366.509 4.083 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC(C1CC1)C1CC1 ZINC000329832817 1095284791 /nfs/dbraw/zinc/28/47/91/1095284791.db2.gz UBYYTHUYAOSLFH-UHFFFAOYSA-N 1 2 350.466 4.210 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000329856222 1095293431 /nfs/dbraw/zinc/29/34/31/1095293431.db2.gz UPFSEDDWPFHZLV-KKXDTOCCSA-N 1 2 359.470 4.160 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000329856222 1095293450 /nfs/dbraw/zinc/29/34/50/1095293450.db2.gz UPFSEDDWPFHZLV-KKXDTOCCSA-N 1 2 359.470 4.160 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000330006270 1095345225 /nfs/dbraw/zinc/34/52/25/1095345225.db2.gz DWUHXPLIEFNBTK-AEFFLSMTSA-N 1 2 373.884 4.339 20 30 FIEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000330006270 1095345244 /nfs/dbraw/zinc/34/52/44/1095345244.db2.gz DWUHXPLIEFNBTK-AEFFLSMTSA-N 1 2 373.884 4.339 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000330180259 1095406513 /nfs/dbraw/zinc/40/65/13/1095406513.db2.gz FWOQWGACCOFYHK-XLIONFOSSA-N 1 2 360.461 4.102 20 30 FIEDLO O=C(NCC[C@@H]1CCCCO1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330251157 1095435627 /nfs/dbraw/zinc/43/56/27/1095435627.db2.gz NIMPLJCJDKNNJB-IBGZPJMESA-N 1 2 368.481 4.172 20 30 FIEDLO CC[C@H]1OCCC[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000330283615 1095448970 /nfs/dbraw/zinc/44/89/70/1095448970.db2.gz WGZYECQSRKJXCV-HZPDHXFCSA-N 1 2 351.516 4.168 20 30 FIEDLO Cc1cc(Nc2ccc3c(c2)[nH+]cn3C)n2c3ccccc3nc2c1C#N ZINC000439696356 1095746684 /nfs/dbraw/zinc/74/66/84/1095746684.db2.gz HCJJHABORMWIJD-UHFFFAOYSA-N 1 2 352.401 4.298 20 30 FIEDLO Cc1ccc([C@@H](CNc2cccc(Cl)c2C#N)[NH+]2CCOCC2)cc1 ZINC000515502118 1098635485 /nfs/dbraw/zinc/63/54/85/1098635485.db2.gz RMDNKTSLLMFRTM-HXUWFJFHSA-N 1 2 355.869 4.006 20 30 FIEDLO CC[C@@H](C#N)Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000436049093 1098678201 /nfs/dbraw/zinc/67/82/01/1098678201.db2.gz KZMZFMURJKUPDK-WBVHZDCISA-N 1 2 355.511 4.208 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425539978 1098987721 /nfs/dbraw/zinc/98/77/21/1098987721.db2.gz NMMOTXPJSDWYPB-HNNXBMFYSA-N 1 2 362.433 4.200 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425539978 1098987722 /nfs/dbraw/zinc/98/77/22/1098987722.db2.gz NMMOTXPJSDWYPB-HNNXBMFYSA-N 1 2 362.433 4.200 20 30 FIEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437536936 1099975493 /nfs/dbraw/zinc/97/54/93/1099975493.db2.gz JJJRXWADYUVEPR-UHFFFAOYSA-N 1 2 374.271 4.252 20 30 FIEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437536936 1099975496 /nfs/dbraw/zinc/97/54/96/1099975496.db2.gz JJJRXWADYUVEPR-UHFFFAOYSA-N 1 2 374.271 4.252 20 30 FIEDLO C[C@H](C#N)C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC1 ZINC000536665205 1100138412 /nfs/dbraw/zinc/13/84/12/1100138412.db2.gz XJCPKMWXNXWWAW-GOSISDBHSA-N 1 2 371.488 4.117 20 30 FIEDLO C[C@H](C#N)C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC1 ZINC000536665205 1100138420 /nfs/dbraw/zinc/13/84/20/1100138420.db2.gz XJCPKMWXNXWWAW-GOSISDBHSA-N 1 2 371.488 4.117 20 30 FIEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668942 1100149162 /nfs/dbraw/zinc/14/91/62/1100149162.db2.gz SZCLMBCRQSTZHN-DHIUTWEWSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668942 1100149168 /nfs/dbraw/zinc/14/91/68/1100149168.db2.gz SZCLMBCRQSTZHN-DHIUTWEWSA-N 1 2 356.473 4.453 20 30 FIEDLO CCc1ccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000536742859 1100251940 /nfs/dbraw/zinc/25/19/40/1100251940.db2.gz BYYLRDJZTQYYEO-QGZVFWFLSA-N 1 2 359.473 4.237 20 30 FIEDLO CCc1ccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000536742859 1100251945 /nfs/dbraw/zinc/25/19/45/1100251945.db2.gz BYYLRDJZTQYYEO-QGZVFWFLSA-N 1 2 359.473 4.237 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459642744 1100381299 /nfs/dbraw/zinc/38/12/99/1100381299.db2.gz ZOUAVBQEEGSKRE-ZDUSSCGKSA-N 1 2 373.547 4.199 20 30 FIEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000506397948 1100961980 /nfs/dbraw/zinc/96/19/80/1100961980.db2.gz WPCXVRRBJGWQKH-UHFFFAOYSA-N 1 2 366.515 4.065 20 30 FIEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000509589943 1100987252 /nfs/dbraw/zinc/98/72/52/1100987252.db2.gz BMPBGGMXNYKZOQ-UHFFFAOYSA-N 1 2 370.497 4.134 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536948418 1101368665 /nfs/dbraw/zinc/36/86/65/1101368665.db2.gz RRTPZEHJCJXSBY-QZTJIDSGSA-N 1 2 367.896 4.222 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536948418 1101368678 /nfs/dbraw/zinc/36/86/78/1101368678.db2.gz RRTPZEHJCJXSBY-QZTJIDSGSA-N 1 2 367.896 4.222 20 30 FIEDLO CCC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)cc1F ZINC000537123808 1101470096 /nfs/dbraw/zinc/47/00/96/1101470096.db2.gz JMOAUOAVLZTRLG-LJQANCHMSA-N 1 2 358.388 4.254 20 30 FIEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537294959 1101615363 /nfs/dbraw/zinc/61/53/63/1101615363.db2.gz HLOLPUGNXFVTNR-LIRRHRJNSA-N 1 2 350.853 4.385 20 30 FIEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537294949 1101615661 /nfs/dbraw/zinc/61/56/61/1101615661.db2.gz HLOLPUGNXFVTNR-AUUYWEPGSA-N 1 2 350.853 4.385 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(C#N)c1C ZINC000426452495 1101649899 /nfs/dbraw/zinc/64/98/99/1101649899.db2.gz ZYTWNTGUXOSCIM-KPZWWZAWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(C#N)c1C ZINC000426452495 1101649905 /nfs/dbraw/zinc/64/99/05/1101649905.db2.gz ZYTWNTGUXOSCIM-KPZWWZAWSA-N 1 2 371.481 4.397 20 30 FIEDLO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000610368115 1101955819 /nfs/dbraw/zinc/95/58/19/1101955819.db2.gz WQHQQKRKPVZLRJ-UHFFFAOYSA-N 1 2 350.397 4.160 20 30 FIEDLO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1F ZINC000610368115 1101955826 /nfs/dbraw/zinc/95/58/26/1101955826.db2.gz WQHQQKRKPVZLRJ-UHFFFAOYSA-N 1 2 350.397 4.160 20 30 FIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476690658 1102712636 /nfs/dbraw/zinc/71/26/36/1102712636.db2.gz FENUBQIRRSDPRP-PKOBYXMFSA-N 1 2 367.518 4.041 20 30 FIEDLO CC1CCC(OC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459354735 1102893693 /nfs/dbraw/zinc/89/36/93/1102893693.db2.gz SPVMRGXVRBDDSV-UHFFFAOYSA-N 1 2 357.454 4.026 20 30 FIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000506869119 1102920957 /nfs/dbraw/zinc/92/09/57/1102920957.db2.gz XNBBLIPGDYKQAE-UHFFFAOYSA-N 1 2 361.323 4.170 20 30 FIEDLO N#Cc1cccc(C2([NH2+]Cc3nn(-c4ccc(F)cc4)c4c3CCC4)CC2)c1 ZINC000551401532 1103185557 /nfs/dbraw/zinc/18/55/57/1103185557.db2.gz KGRIVOBUGDFZOW-UHFFFAOYSA-N 1 2 372.447 4.151 20 30 FIEDLO CCN(C(C)=O)c1nc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000507728228 1103857391 /nfs/dbraw/zinc/85/73/91/1103857391.db2.gz XVEQMHRCBWTKPK-UHFFFAOYSA-N 1 2 370.522 4.046 20 30 FIEDLO CCN(C(C)=O)c1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000507728228 1103857407 /nfs/dbraw/zinc/85/74/07/1103857407.db2.gz XVEQMHRCBWTKPK-UHFFFAOYSA-N 1 2 370.522 4.046 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCC(F)(F)CC3)n2)C1 ZINC000328856746 1104580611 /nfs/dbraw/zinc/58/06/11/1104580611.db2.gz DBUMDNZASDLZOJ-GFCCVEGCSA-N 1 2 372.485 4.279 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(F)(F)CC3)n2)C1 ZINC000328856746 1104580618 /nfs/dbraw/zinc/58/06/18/1104580618.db2.gz DBUMDNZASDLZOJ-GFCCVEGCSA-N 1 2 372.485 4.279 20 30 FIEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000328863337 1104581914 /nfs/dbraw/zinc/58/19/14/1104581914.db2.gz ZFMOGWOWRACRQK-QWFCFKBJSA-N 1 2 373.472 4.064 20 30 FIEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000328863337 1104581918 /nfs/dbraw/zinc/58/19/18/1104581918.db2.gz ZFMOGWOWRACRQK-QWFCFKBJSA-N 1 2 373.472 4.064 20 30 FIEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000328940620 1104596009 /nfs/dbraw/zinc/59/60/09/1104596009.db2.gz SLTGCPWOCUXTKA-OAHLLOKOSA-N 1 2 360.458 4.078 20 30 FIEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000328940620 1104596018 /nfs/dbraw/zinc/59/60/18/1104596018.db2.gz SLTGCPWOCUXTKA-OAHLLOKOSA-N 1 2 360.458 4.078 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC12CCCCC2 ZINC000328952162 1104596942 /nfs/dbraw/zinc/59/69/42/1104596942.db2.gz CVNQLRBZNLJFCB-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC12CCCCC2 ZINC000328952162 1104596947 /nfs/dbraw/zinc/59/69/47/1104596947.db2.gz CVNQLRBZNLJFCB-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO C=CCC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189613008 1104824042 /nfs/dbraw/zinc/82/40/42/1104824042.db2.gz IETZAVPFTPAMIG-DENIHFKCSA-N 1 2 363.505 4.037 20 30 FIEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)c1 ZINC000475334403 1106737380 /nfs/dbraw/zinc/73/73/80/1106737380.db2.gz PKTJKOOMUMRIEN-QGZVFWFLSA-N 1 2 372.490 4.140 20 30 FIEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)c1 ZINC000475334403 1106737389 /nfs/dbraw/zinc/73/73/89/1106737389.db2.gz PKTJKOOMUMRIEN-QGZVFWFLSA-N 1 2 372.490 4.140 20 30 FIEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000475353441 1106748756 /nfs/dbraw/zinc/74/87/56/1106748756.db2.gz WIKDAHSZOYXHLU-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000475353441 1106748766 /nfs/dbraw/zinc/74/87/66/1106748766.db2.gz WIKDAHSZOYXHLU-UHFFFAOYSA-N 1 2 357.404 4.076 20 30 FIEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451147473 1106946269 /nfs/dbraw/zinc/94/62/69/1106946269.db2.gz RBONWZUAYXTSEU-UHFFFAOYSA-N 1 2 350.315 4.375 20 30 FIEDLO C[C@H](CC#N)N(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301596304 1107081884 /nfs/dbraw/zinc/08/18/84/1107081884.db2.gz ZHIQMBQHQYTXGP-CQSZACIVSA-N 1 2 365.506 4.158 20 30 FIEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2[nH+]1 ZINC000531676089 1108064868 /nfs/dbraw/zinc/06/48/68/1108064868.db2.gz WCPLNBZSQCRHEB-UHFFFAOYSA-N 1 2 369.384 4.183 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444691175 1108092381 /nfs/dbraw/zinc/09/23/81/1108092381.db2.gz CUTFVXFVUMAUMU-AWEZNQCLSA-N 1 2 364.461 4.061 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444691175 1108092394 /nfs/dbraw/zinc/09/23/94/1108092394.db2.gz CUTFVXFVUMAUMU-AWEZNQCLSA-N 1 2 364.461 4.061 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444710945 1108112565 /nfs/dbraw/zinc/11/25/65/1108112565.db2.gz WGDIZSCZVFEAET-CYBMUJFWSA-N 1 2 358.429 4.178 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444710945 1108112574 /nfs/dbraw/zinc/11/25/74/1108112574.db2.gz WGDIZSCZVFEAET-CYBMUJFWSA-N 1 2 358.429 4.178 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000523568720 1108326375 /nfs/dbraw/zinc/32/63/75/1108326375.db2.gz DQNUKTDMNYHKEJ-UHFFFAOYSA-N 1 2 353.809 4.343 20 30 FIEDLO N#Cc1c(F)cccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000186731810 1108937216 /nfs/dbraw/zinc/93/72/16/1108937216.db2.gz DAKRGJMMLDFJBH-UHFFFAOYSA-N 1 2 360.392 4.149 20 30 FIEDLO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524991419 1109230939 /nfs/dbraw/zinc/23/09/39/1109230939.db2.gz WUKOFSDNSJNKDK-SFHVURJKSA-N 1 2 372.472 4.092 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083245 1109615688 /nfs/dbraw/zinc/61/56/88/1109615688.db2.gz RREVAELFFDBAKF-PKTZIBPZSA-N 1 2 356.473 4.203 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000526083245 1109615690 /nfs/dbraw/zinc/61/56/90/1109615690.db2.gz RREVAELFFDBAKF-PKTZIBPZSA-N 1 2 356.473 4.203 20 30 FIEDLO C=CCCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000447982750 1109690335 /nfs/dbraw/zinc/69/03/35/1109690335.db2.gz NAKJTTCTBSERAF-UHFFFAOYSA-N 1 2 374.488 4.364 20 30 FIEDLO N#CCCn1cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000538750609 1111279636 /nfs/dbraw/zinc/27/96/36/1111279636.db2.gz LWQVEBAWKDHUTE-JOCHJYFZSA-N 1 2 372.472 4.037 20 30 FIEDLO N#CCCn1cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000538750609 1111279642 /nfs/dbraw/zinc/27/96/42/1111279642.db2.gz LWQVEBAWKDHUTE-JOCHJYFZSA-N 1 2 372.472 4.037 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1C(F)(F)F ZINC000539359466 1111536818 /nfs/dbraw/zinc/53/68/18/1111536818.db2.gz LHRSGKXFMFDZHI-LBPRGKRZSA-N 1 2 372.350 4.478 20 30 FIEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000539390340 1111548346 /nfs/dbraw/zinc/54/83/46/1111548346.db2.gz NQXRRPLIZODVEU-UYAOXDASSA-N 1 2 354.498 4.285 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000539390337 1111548352 /nfs/dbraw/zinc/54/83/52/1111548352.db2.gz NQXRRPLIZODVEU-AZUAARDMSA-N 1 2 354.498 4.285 20 30 FIEDLO COc1ccc2ccccc2c1-c1cc(C[NH2+]Cc2ccc(C#N)o2)on1 ZINC000478353200 1111757362 /nfs/dbraw/zinc/75/73/62/1111757362.db2.gz MQTVCMDFQHRSDQ-UHFFFAOYSA-N 1 2 359.385 4.258 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622044 1112513857 /nfs/dbraw/zinc/51/38/57/1112513857.db2.gz VMSGQQRMHIZAHV-ROUUACIJSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622044 1112513860 /nfs/dbraw/zinc/51/38/60/1112513860.db2.gz VMSGQQRMHIZAHV-ROUUACIJSA-N 1 2 364.892 4.477 20 30 FIEDLO COc1cccc2c(N3CCC(Oc4ccc(C#N)cc4)CC3)cc[nH+]c12 ZINC000480709809 1112564190 /nfs/dbraw/zinc/56/41/90/1112564190.db2.gz NYPIIUTZGFVNOU-UHFFFAOYSA-N 1 2 359.429 4.163 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249089537 1113223521 /nfs/dbraw/zinc/22/35/21/1113223521.db2.gz CSXQZZPWPJPWDP-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000249089537 1113223525 /nfs/dbraw/zinc/22/35/25/1113223525.db2.gz CSXQZZPWPJPWDP-AUUYWEPGSA-N 1 2 358.388 4.294 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)cc1C#N ZINC000483306066 1113484405 /nfs/dbraw/zinc/48/44/05/1113484405.db2.gz CNBQGIJYMBMGDI-ZDUSSCGKSA-N 1 2 350.285 4.058 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)cc1C#N ZINC000483306066 1113484408 /nfs/dbraw/zinc/48/44/08/1113484408.db2.gz CNBQGIJYMBMGDI-ZDUSSCGKSA-N 1 2 350.285 4.058 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000489465439 1114115169 /nfs/dbraw/zinc/11/51/69/1114115169.db2.gz UDWZZQBXBVVUMI-LLVKDONJSA-N 1 2 354.273 4.101 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000489465439 1114115171 /nfs/dbraw/zinc/11/51/71/1114115171.db2.gz UDWZZQBXBVVUMI-LLVKDONJSA-N 1 2 354.273 4.101 20 30 FIEDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586773074 1114389724 /nfs/dbraw/zinc/38/97/24/1114389724.db2.gz NZYJIMASHPLNQC-UHFFFAOYSA-N 1 2 352.463 4.231 20 30 FIEDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586773074 1114389727 /nfs/dbraw/zinc/38/97/27/1114389727.db2.gz NZYJIMASHPLNQC-UHFFFAOYSA-N 1 2 352.463 4.231 20 30 FIEDLO N#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000588360187 1114583687 /nfs/dbraw/zinc/58/36/87/1114583687.db2.gz ANGAFXIGMPSUDV-KRWDZBQOSA-N 1 2 365.880 4.034 20 30 FIEDLO N#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000588360187 1114583694 /nfs/dbraw/zinc/58/36/94/1114583694.db2.gz ANGAFXIGMPSUDV-KRWDZBQOSA-N 1 2 365.880 4.034 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000590182364 1114905013 /nfs/dbraw/zinc/90/50/13/1114905013.db2.gz STGXDDZTBRLMGQ-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000590182364 1114905016 /nfs/dbraw/zinc/90/50/16/1114905016.db2.gz STGXDDZTBRLMGQ-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(Cl)cc3C2)sc2c1CCC2 ZINC000590972487 1114998496 /nfs/dbraw/zinc/99/84/96/1114998496.db2.gz ZZGPAPJJPQZNRP-UHFFFAOYSA-N 1 2 371.893 4.106 20 30 FIEDLO N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(Cl)cc3C2)sc2c1CCC2 ZINC000590972487 1114998497 /nfs/dbraw/zinc/99/84/97/1114998497.db2.gz ZZGPAPJJPQZNRP-UHFFFAOYSA-N 1 2 371.893 4.106 20 30 FIEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000593945393 1115354832 /nfs/dbraw/zinc/35/48/32/1115354832.db2.gz KUOMLJNZVSQBHC-CALCHBBNSA-N 1 2 364.493 4.108 20 30 FIEDLO N#CC1(c2ccc(CNc3ccccc3OCCn3cc[nH+]c3)cc2)CC1 ZINC000594934294 1115500551 /nfs/dbraw/zinc/50/05/51/1115500551.db2.gz MHUFXEGKXXDFDS-UHFFFAOYSA-N 1 2 358.445 4.129 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(OC)cc1 ZINC000059423179 1115511261 /nfs/dbraw/zinc/51/12/61/1115511261.db2.gz XCDFIRLMZFFZIP-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc(OC)cc1 ZINC000059423179 1115511263 /nfs/dbraw/zinc/51/12/63/1115511263.db2.gz XCDFIRLMZFFZIP-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000592996152 1115534039 /nfs/dbraw/zinc/53/40/39/1115534039.db2.gz QZEKSMMGWZXLAX-MRXNPFEDSA-N 1 2 364.430 4.413 20 30 FIEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000592996152 1115534043 /nfs/dbraw/zinc/53/40/43/1115534043.db2.gz QZEKSMMGWZXLAX-MRXNPFEDSA-N 1 2 364.430 4.413 20 30 FIEDLO COc1ccc(OCc2nc(C[NH+]3CCC(CCC#N)CC3)cs2)cc1 ZINC000575120386 1115542692 /nfs/dbraw/zinc/54/26/92/1115542692.db2.gz VNABAAIHAYFDDL-UHFFFAOYSA-N 1 2 371.506 4.246 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616147 1115553964 /nfs/dbraw/zinc/55/39/64/1115553964.db2.gz QMCHXYACBISOHJ-ZWKOTPCHSA-N 1 2 363.461 4.432 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616147 1115553968 /nfs/dbraw/zinc/55/39/68/1115553968.db2.gz QMCHXYACBISOHJ-ZWKOTPCHSA-N 1 2 363.461 4.432 20 30 FIEDLO COCC[N@H+](Cc1ncc(-c2ccccc2C)o1)Cc1ccc(C#N)cc1 ZINC000075674724 1115555955 /nfs/dbraw/zinc/55/59/55/1115555955.db2.gz AJCISYFFSNBLOE-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO COCC[N@@H+](Cc1ncc(-c2ccccc2C)o1)Cc1ccc(C#N)cc1 ZINC000075674724 1115555958 /nfs/dbraw/zinc/55/59/58/1115555958.db2.gz AJCISYFFSNBLOE-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO N#Cc1ccc(C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)nc1 ZINC000602910002 1115731668 /nfs/dbraw/zinc/73/16/68/1115731668.db2.gz CBPNJDXNWLTMAF-UHFFFAOYSA-N 1 2 367.403 4.078 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000599341955 1115808373 /nfs/dbraw/zinc/80/83/73/1115808373.db2.gz FPFPVFGUXCQJND-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1C#N ZINC000599341955 1115808376 /nfs/dbraw/zinc/80/83/76/1115808376.db2.gz FPFPVFGUXCQJND-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1C#N ZINC000599404743 1115812964 /nfs/dbraw/zinc/81/29/64/1115812964.db2.gz WJUBVHKXYGBTKH-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1C#N ZINC000599404743 1115812966 /nfs/dbraw/zinc/81/29/66/1115812966.db2.gz WJUBVHKXYGBTKH-SFHVURJKSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679408 1115837622 /nfs/dbraw/zinc/83/76/22/1115837622.db2.gz RKNOKMHZKMPLSC-INIZCTEOSA-N 1 2 358.445 4.230 20 30 FIEDLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679408 1115837625 /nfs/dbraw/zinc/83/76/25/1115837625.db2.gz RKNOKMHZKMPLSC-INIZCTEOSA-N 1 2 358.445 4.230 20 30 FIEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685508 1115837989 /nfs/dbraw/zinc/83/79/89/1115837989.db2.gz DVTRKZQOZWDZOH-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685508 1115837993 /nfs/dbraw/zinc/83/79/93/1115837993.db2.gz DVTRKZQOZWDZOH-OAHLLOKOSA-N 1 2 367.880 4.100 20 30 FIEDLO C#C[C@H]1CCC[N@H+](Cc2cccc(Br)c2Br)C1 ZINC001232762938 1116077847 /nfs/dbraw/zinc/07/78/47/1116077847.db2.gz FZWNQEMDALDVEN-NSHDSACASA-N 1 2 357.089 4.057 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000063300684 1116038852 /nfs/dbraw/zinc/03/88/52/1116038852.db2.gz KYANMFCWDYTACC-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000063300684 1116038854 /nfs/dbraw/zinc/03/88/54/1116038854.db2.gz KYANMFCWDYTACC-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C#C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Br)C1 ZINC001232762938 1116077845 /nfs/dbraw/zinc/07/78/45/1116077845.db2.gz FZWNQEMDALDVEN-NSHDSACASA-N 1 2 357.089 4.057 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000459449784 1116209643 /nfs/dbraw/zinc/20/96/43/1116209643.db2.gz ZONFMUGSMFXBJI-OAHLLOKOSA-N 1 2 353.344 4.021 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000459449784 1116209644 /nfs/dbraw/zinc/20/96/44/1116209644.db2.gz ZONFMUGSMFXBJI-OAHLLOKOSA-N 1 2 353.344 4.021 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818271 1116384918 /nfs/dbraw/zinc/38/49/18/1116384918.db2.gz OJSWIXGJGPSFKR-YCRPNKLZSA-N 1 2 371.452 4.230 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(OC)c1O ZINC000539818271 1116384920 /nfs/dbraw/zinc/38/49/20/1116384920.db2.gz OJSWIXGJGPSFKR-YCRPNKLZSA-N 1 2 371.452 4.230 20 30 FIEDLO COc1cccc([C@H](C)[NH+]2CCN(c3c(Cl)cccc3C#N)CC2)c1 ZINC000462820949 1117795932 /nfs/dbraw/zinc/79/59/32/1117795932.db2.gz WLBWVFRNZGWKAO-HNNXBMFYSA-N 1 2 355.869 4.103 20 30 FIEDLO C[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)c1cccc(C#N)c1 ZINC000462833668 1117804220 /nfs/dbraw/zinc/80/42/20/1117804220.db2.gz MATNLEUPLBXDIR-OAHLLOKOSA-N 1 2 355.401 4.005 20 30 FIEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000462905384 1117840013 /nfs/dbraw/zinc/84/00/13/1117840013.db2.gz YIMIMCMTPPONQE-FQEVSTJZSA-N 1 2 370.447 4.122 20 30 FIEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000540597845 1118140758 /nfs/dbraw/zinc/14/07/58/1118140758.db2.gz VAVNBLRCQVQGDZ-IFXJQAMLSA-N 1 2 350.853 4.385 20 30 FIEDLO N#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000542132285 1118809348 /nfs/dbraw/zinc/80/93/48/1118809348.db2.gz TUTXRSOKNHLGNI-UHFFFAOYSA-N 1 2 371.872 4.132 20 30 FIEDLO C=CCC[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492489460 1119110247 /nfs/dbraw/zinc/11/02/47/1119110247.db2.gz NBSXYEDNDGIAJK-IBGZPJMESA-N 1 2 361.449 4.155 20 30 FIEDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1cccc(C#N)c1F ZINC000494243385 1119796450 /nfs/dbraw/zinc/79/64/50/1119796450.db2.gz ZWJIMSUYJQRIMD-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1cccc(C#N)c1F ZINC000494243385 1119796454 /nfs/dbraw/zinc/79/64/54/1119796454.db2.gz ZWJIMSUYJQRIMD-UHFFFAOYSA-N 1 2 351.194 4.231 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCCC[C@@H](SCC)C2)c1=S ZINC000153114768 1119993167 /nfs/dbraw/zinc/99/31/67/1119993167.db2.gz LLPLMLRGQFUVHK-OAHLLOKOSA-N 1 2 352.573 4.043 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCCC[C@@H](SCC)C2)c1=S ZINC000153114768 1119993168 /nfs/dbraw/zinc/99/31/68/1119993168.db2.gz LLPLMLRGQFUVHK-OAHLLOKOSA-N 1 2 352.573 4.043 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761757006 1120343961 /nfs/dbraw/zinc/34/39/61/1120343961.db2.gz FNAHIUJERYYYFI-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761757006 1120343966 /nfs/dbraw/zinc/34/39/66/1120343966.db2.gz FNAHIUJERYYYFI-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761762131 1120353298 /nfs/dbraw/zinc/35/32/98/1120353298.db2.gz QVYFFXMIPWADTR-NRFANRHFSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1cccc(C)c1OCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761762131 1120353303 /nfs/dbraw/zinc/35/33/03/1120353303.db2.gz QVYFFXMIPWADTR-NRFANRHFSA-N 1 2 350.462 4.018 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000761761870 1120354872 /nfs/dbraw/zinc/35/48/72/1120354872.db2.gz QIVDWVBJGVRUTF-GOSISDBHSA-N 1 2 362.351 4.030 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000761761870 1120354876 /nfs/dbraw/zinc/35/48/76/1120354876.db2.gz QIVDWVBJGVRUTF-GOSISDBHSA-N 1 2 362.351 4.030 20 30 FIEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000761765056 1120362570 /nfs/dbraw/zinc/36/25/70/1120362570.db2.gz HYJRJHDZZFEHAE-JOCHJYFZSA-N 1 2 362.473 4.260 20 30 FIEDLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000761765056 1120362578 /nfs/dbraw/zinc/36/25/78/1120362578.db2.gz HYJRJHDZZFEHAE-JOCHJYFZSA-N 1 2 362.473 4.260 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000495078172 1120462554 /nfs/dbraw/zinc/46/25/54/1120462554.db2.gz IJCGLUJAZKHUKP-QGZVFWFLSA-N 1 2 362.399 4.086 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208128 1120873782 /nfs/dbraw/zinc/87/37/82/1120873782.db2.gz CMSYYYHYWYFSOS-OAHLLOKOSA-N 1 2 360.527 4.209 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208128 1120873786 /nfs/dbraw/zinc/87/37/86/1120873786.db2.gz CMSYYYHYWYFSOS-OAHLLOKOSA-N 1 2 360.527 4.209 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000125651256 1121801217 /nfs/dbraw/zinc/80/12/17/1121801217.db2.gz NGRUYOQWYQMPJP-UHFFFAOYSA-N 1 2 355.507 4.209 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000125651256 1121801241 /nfs/dbraw/zinc/80/12/41/1121801241.db2.gz NGRUYOQWYQMPJP-UHFFFAOYSA-N 1 2 355.507 4.209 20 30 FIEDLO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000917119821 1122159954 /nfs/dbraw/zinc/15/99/54/1122159954.db2.gz XVIJAMCHLBVPTP-LJQANCHMSA-N 1 2 356.828 4.040 20 30 FIEDLO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000917119821 1122159961 /nfs/dbraw/zinc/15/99/61/1122159961.db2.gz XVIJAMCHLBVPTP-LJQANCHMSA-N 1 2 356.828 4.040 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000067445487 1122161476 /nfs/dbraw/zinc/16/14/76/1122161476.db2.gz BVGMUGUDVVJOGD-GOSISDBHSA-N 1 2 355.507 4.079 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000067445487 1122161481 /nfs/dbraw/zinc/16/14/81/1122161481.db2.gz BVGMUGUDVVJOGD-GOSISDBHSA-N 1 2 355.507 4.079 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nc3ccccc3n2C(F)F)C2CC2)cc1 ZINC000194538388 1122525561 /nfs/dbraw/zinc/52/55/61/1122525561.db2.gz UALBFUFQLGHUIS-UHFFFAOYSA-N 1 2 352.388 4.468 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nc3ccccc3n2C(F)F)C2CC2)cc1 ZINC000194538388 1122525565 /nfs/dbraw/zinc/52/55/65/1122525565.db2.gz UALBFUFQLGHUIS-UHFFFAOYSA-N 1 2 352.388 4.468 20 30 FIEDLO C=C[C@H](CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000135385352 1123745701 /nfs/dbraw/zinc/74/57/01/1123745701.db2.gz OTZCGMLEGWQRDR-HXUWFJFHSA-N 1 2 364.489 4.126 20 30 FIEDLO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706042 1123803183 /nfs/dbraw/zinc/80/31/83/1123803183.db2.gz NOQSLBUWESMZBG-CZUORRHYSA-N 1 2 369.490 4.174 20 30 FIEDLO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000609706042 1123803189 /nfs/dbraw/zinc/80/31/89/1123803189.db2.gz NOQSLBUWESMZBG-CZUORRHYSA-N 1 2 369.490 4.174 20 30 FIEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000301186776 1124201359 /nfs/dbraw/zinc/20/13/59/1124201359.db2.gz SQCGXZRIKMJONH-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301374970 1124223011 /nfs/dbraw/zinc/22/30/11/1124223011.db2.gz XEFVSQKVOKVHSP-UHFFFAOYSA-N 1 2 361.424 4.161 20 30 FIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301614956 1124246642 /nfs/dbraw/zinc/24/66/42/1124246642.db2.gz IMBHHSRXMYYSQH-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO N#Cc1cc(Br)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000302200766 1124294990 /nfs/dbraw/zinc/29/49/90/1124294990.db2.gz VCBJURMJAGUQKI-UHFFFAOYSA-N 1 2 367.250 4.178 20 30 FIEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1Cl ZINC000181747399 1125123665 /nfs/dbraw/zinc/12/36/65/1125123665.db2.gz ZXYRGRCGEQLMMF-CQSZACIVSA-N 1 2 359.832 4.077 20 30 FIEDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F ZINC000618453256 1125184391 /nfs/dbraw/zinc/18/43/91/1125184391.db2.gz WIRAKIPSEUYNJM-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccccc1F ZINC000059834202 221127469 /nfs/dbraw/zinc/12/74/69/221127469.db2.gz DVDBOFBDAGSNHL-OAHLLOKOSA-N 1 2 360.860 4.345 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccccc1F ZINC000059834202 221127471 /nfs/dbraw/zinc/12/74/71/221127471.db2.gz DVDBOFBDAGSNHL-OAHLLOKOSA-N 1 2 360.860 4.345 20 30 FIEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000603498256 568112415 /nfs/dbraw/zinc/11/24/15/568112415.db2.gz LRWRPIDBBZVHFA-PXAZEXFGSA-N 1 2 356.297 4.041 20 30 FIEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000603498256 568112416 /nfs/dbraw/zinc/11/24/16/568112416.db2.gz LRWRPIDBBZVHFA-PXAZEXFGSA-N 1 2 356.297 4.041 20 30 FIEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000603633703 568128816 /nfs/dbraw/zinc/12/88/16/568128816.db2.gz YPTXSUYGDRGCNF-UHFFFAOYSA-N 1 2 355.869 4.109 20 30 FIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000603633703 568128817 /nfs/dbraw/zinc/12/88/17/568128817.db2.gz YPTXSUYGDRGCNF-UHFFFAOYSA-N 1 2 355.869 4.109 20 30 FIEDLO CC(C)CCc1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000584684066 568185145 /nfs/dbraw/zinc/18/51/45/568185145.db2.gz RBHBFVACJIIBMI-UHFFFAOYSA-N 1 2 357.523 4.252 20 30 FIEDLO CC(C)CCc1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000584684066 568185146 /nfs/dbraw/zinc/18/51/46/568185146.db2.gz RBHBFVACJIIBMI-UHFFFAOYSA-N 1 2 357.523 4.252 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000584701958 568349318 /nfs/dbraw/zinc/34/93/18/568349318.db2.gz ZWDFZEKPASTYQH-INIZCTEOSA-N 1 2 359.882 4.439 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000584701958 568349319 /nfs/dbraw/zinc/34/93/19/568349319.db2.gz ZWDFZEKPASTYQH-INIZCTEOSA-N 1 2 359.882 4.439 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1C ZINC000605156511 568587961 /nfs/dbraw/zinc/58/79/61/568587961.db2.gz XRWGDNAWDOCFNW-OAQYLSRUSA-N 1 2 354.519 4.264 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1C ZINC000605156511 568587963 /nfs/dbraw/zinc/58/79/63/568587963.db2.gz XRWGDNAWDOCFNW-OAQYLSRUSA-N 1 2 354.519 4.264 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1Cl ZINC000619754931 1125680954 /nfs/dbraw/zinc/68/09/54/1125680954.db2.gz OSUCUGFHQVZLKX-IBGZPJMESA-N 1 2 352.800 4.020 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084918 1080183938 /nfs/dbraw/zinc/18/39/38/1080183938.db2.gz ZBAFLIWEMLQUIJ-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084918 1080183941 /nfs/dbraw/zinc/18/39/41/1080183941.db2.gz ZBAFLIWEMLQUIJ-OAHLLOKOSA-N 1 2 360.502 4.486 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(C#N)c1 ZINC000063300739 1080245969 /nfs/dbraw/zinc/24/59/69/1080245969.db2.gz AZWRDBXZASIFHU-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(C#N)c1 ZINC000063300739 1080245978 /nfs/dbraw/zinc/24/59/78/1080245978.db2.gz AZWRDBXZASIFHU-UHFFFAOYSA-N 1 2 374.271 4.492 20 30 FIEDLO C=CCCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001209442149 1080701043 /nfs/dbraw/zinc/70/10/43/1080701043.db2.gz URHYJQLQMKSTIK-FQEVSTJZSA-N 1 2 360.546 4.026 20 30 FIEDLO C=CCCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001209442149 1080701050 /nfs/dbraw/zinc/70/10/50/1080701050.db2.gz URHYJQLQMKSTIK-FQEVSTJZSA-N 1 2 360.546 4.026 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000275419873 1080899420 /nfs/dbraw/zinc/89/94/20/1080899420.db2.gz FSURUBDTEAVELJ-GFCCVEGCSA-N 1 2 356.376 4.162 20 30 FIEDLO COc1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1C#N ZINC001210121285 1080997276 /nfs/dbraw/zinc/99/72/76/1080997276.db2.gz XSQSHXKMFJUYJG-UHFFFAOYSA-N 1 2 354.207 4.043 20 30 FIEDLO CC(C)[N@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000580657546 1082067804 /nfs/dbraw/zinc/06/78/04/1082067804.db2.gz QXIZZCCAVCDQHS-UHFFFAOYSA-N 1 2 362.246 4.265 20 30 FIEDLO CC(C)[N@@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000580657546 1082067814 /nfs/dbraw/zinc/06/78/14/1082067814.db2.gz QXIZZCCAVCDQHS-UHFFFAOYSA-N 1 2 362.246 4.265 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)o2)c1 ZINC000561157725 1082087219 /nfs/dbraw/zinc/08/72/19/1082087219.db2.gz XPRADVNATLCPGW-UHFFFAOYSA-N 1 2 350.809 4.041 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121317960 1082528365 /nfs/dbraw/zinc/52/83/65/1082528365.db2.gz AYRVVCRDZJECRE-QFIPXVFZSA-N 1 2 371.440 4.036 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000471652430 1082550043 /nfs/dbraw/zinc/55/00/43/1082550043.db2.gz JJFCPXQTSQFCFS-UHFFFAOYSA-N 1 2 374.488 4.219 20 30 FIEDLO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1F ZINC000610542845 1082933505 /nfs/dbraw/zinc/93/35/05/1082933505.db2.gz RBTIOTLJMIEPSI-UHFFFAOYSA-N 1 2 359.470 4.226 20 30 FIEDLO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1F ZINC000610542845 1082933507 /nfs/dbraw/zinc/93/35/07/1082933507.db2.gz RBTIOTLJMIEPSI-UHFFFAOYSA-N 1 2 359.470 4.226 20 30 FIEDLO CC(C)CCc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000065040959 1083245849 /nfs/dbraw/zinc/24/58/49/1083245849.db2.gz KRIYOHRTYDBGSY-UHFFFAOYSA-N 1 2 368.550 4.316 20 30 FIEDLO CC(C)CCc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000065040959 1083245854 /nfs/dbraw/zinc/24/58/54/1083245854.db2.gz KRIYOHRTYDBGSY-UHFFFAOYSA-N 1 2 368.550 4.316 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000510859459 1083345907 /nfs/dbraw/zinc/34/59/07/1083345907.db2.gz KZMZMEHEHYVQAY-ZDUSSCGKSA-N 1 2 370.434 4.456 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000510859459 1083345910 /nfs/dbraw/zinc/34/59/10/1083345910.db2.gz KZMZMEHEHYVQAY-ZDUSSCGKSA-N 1 2 370.434 4.456 20 30 FIEDLO N#Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F ZINC000610719328 1083354224 /nfs/dbraw/zinc/35/42/24/1083354224.db2.gz PWHCNBCPXFXZCY-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO N#Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F ZINC000610719328 1083354227 /nfs/dbraw/zinc/35/42/27/1083354227.db2.gz PWHCNBCPXFXZCY-TXEJJXNPSA-N 1 2 354.269 4.260 20 30 FIEDLO Fc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000535795596 1083669363 /nfs/dbraw/zinc/66/93/63/1083669363.db2.gz FTLKZUQWYIZCMN-GFCCVEGCSA-N 1 2 359.285 4.388 20 30 FIEDLO Fc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000535795596 1083669366 /nfs/dbraw/zinc/66/93/66/1083669366.db2.gz FTLKZUQWYIZCMN-GFCCVEGCSA-N 1 2 359.285 4.388 20 30 FIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccc1Cl ZINC000610956908 1083881654 /nfs/dbraw/zinc/88/16/54/1083881654.db2.gz YVTSAKXCXWISPI-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3ccco3)c3ccccc3)C2=O)cc1 ZINC000179968494 1083940951 /nfs/dbraw/zinc/94/09/51/1083940951.db2.gz LQWLWMNKHQNXBM-RBBKRZOGSA-N 1 2 371.440 4.026 20 30 FIEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000609388493 1084550303 /nfs/dbraw/zinc/55/03/03/1084550303.db2.gz PFHUYELUASCRTA-CYBMUJFWSA-N 1 2 373.444 4.294 20 30 FIEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000609388493 1084550313 /nfs/dbraw/zinc/55/03/13/1084550313.db2.gz PFHUYELUASCRTA-CYBMUJFWSA-N 1 2 373.444 4.294 20 30 FIEDLO Cc1nn(-c2cccc(F)c2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000414308583 1085015928 /nfs/dbraw/zinc/01/59/28/1085015928.db2.gz GIVHSHIBILFVOH-UHFFFAOYSA-N 1 2 365.412 4.010 20 30 FIEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135216245 1085467447 /nfs/dbraw/zinc/46/74/47/1085467447.db2.gz DVZVSPJHNOQKBK-DOTOQJQBSA-N 1 2 362.901 4.069 20 30 FIEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000135216245 1085467453 /nfs/dbraw/zinc/46/74/53/1085467453.db2.gz DVZVSPJHNOQKBK-DOTOQJQBSA-N 1 2 362.901 4.069 20 30 FIEDLO Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nc(C2CC2)[nH+]1 ZINC000329234869 1086779445 /nfs/dbraw/zinc/77/94/45/1086779445.db2.gz NAIDSRHVGMBYQU-CQSZACIVSA-N 1 2 371.872 4.215 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000512166160 1086871084 /nfs/dbraw/zinc/87/10/84/1086871084.db2.gz NBXPYFCKPMYNHD-UHFFFAOYSA-N 1 2 352.434 4.314 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000512166160 1086871092 /nfs/dbraw/zinc/87/10/92/1086871092.db2.gz NBXPYFCKPMYNHD-UHFFFAOYSA-N 1 2 352.434 4.314 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCc4cccnc43)n2)C1 ZINC000329319342 1086905767 /nfs/dbraw/zinc/90/57/67/1086905767.db2.gz RCLLKOBBAIKZBR-BBRMVZONSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCc4cccnc43)n2)C1 ZINC000329319342 1086905769 /nfs/dbraw/zinc/90/57/69/1086905769.db2.gz RCLLKOBBAIKZBR-BBRMVZONSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCc4cccnc43)n2)C1 ZINC000329319345 1086906605 /nfs/dbraw/zinc/90/66/05/1086906605.db2.gz RCLLKOBBAIKZBR-XJKSGUPXSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCc4cccnc43)n2)C1 ZINC000329319345 1086906607 /nfs/dbraw/zinc/90/66/07/1086906607.db2.gz RCLLKOBBAIKZBR-XJKSGUPXSA-N 1 2 356.495 4.088 20 30 FIEDLO Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C)c[nH+]1 ZINC000583708923 1086925921 /nfs/dbraw/zinc/92/59/21/1086925921.db2.gz YLPAUBLCRSTTBR-UHFFFAOYSA-N 1 2 359.454 4.396 20 30 FIEDLO N#CCCn1cc(CNc2ccc([NH+]3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000278574060 1087111766 /nfs/dbraw/zinc/11/17/66/1087111766.db2.gz FAMWSMRRJFJWQW-UHFFFAOYSA-N 1 2 372.476 4.071 20 30 FIEDLO CC(C)(C#N)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000278709857 1087251939 /nfs/dbraw/zinc/25/19/39/1087251939.db2.gz KRSXLWIKCMMHRS-UHFFFAOYSA-N 1 2 372.472 4.154 20 30 FIEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000329894065 1087672989 /nfs/dbraw/zinc/67/29/89/1087672989.db2.gz BAQMJSHKDWQYGI-VQIMIIECSA-N 1 2 371.387 4.164 20 30 FIEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000329894065 1087672991 /nfs/dbraw/zinc/67/29/91/1087672991.db2.gz BAQMJSHKDWQYGI-VQIMIIECSA-N 1 2 371.387 4.164 20 30 FIEDLO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000514001604 1088625949 /nfs/dbraw/zinc/62/59/49/1088625949.db2.gz LWFWOWQYJDODBV-UHFFFAOYSA-N 1 2 369.481 4.194 20 30 FIEDLO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(F)F ZINC000514001604 1088625951 /nfs/dbraw/zinc/62/59/51/1088625951.db2.gz LWFWOWQYJDODBV-UHFFFAOYSA-N 1 2 369.481 4.194 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)c(C#N)c1C ZINC000434491682 1088676679 /nfs/dbraw/zinc/67/66/79/1088676679.db2.gz KMPYGRKQJJSGLT-OAHLLOKOSA-N 1 2 369.440 4.056 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2C(C)(C)C)C(C)(C)C)cc1 ZINC000514075024 1088696192 /nfs/dbraw/zinc/69/61/92/1088696192.db2.gz YITHLNWCWYXHHQ-UHFFFAOYSA-N 1 2 356.514 4.399 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2C(C)(C)C)C(C)(C)C)cc1 ZINC000514075024 1088696202 /nfs/dbraw/zinc/69/62/02/1088696202.db2.gz YITHLNWCWYXHHQ-UHFFFAOYSA-N 1 2 356.514 4.399 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000376739500 1088872277 /nfs/dbraw/zinc/87/22/77/1088872277.db2.gz ZFVJZNCGCBQBFI-UHFFFAOYSA-N 1 2 374.257 4.041 20 30 FIEDLO N#CCCC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000425312756 1089455321 /nfs/dbraw/zinc/45/53/21/1089455321.db2.gz KPBVGSUOQJBHPN-SFTDATJTSA-N 1 2 372.472 4.483 20 30 FIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000181556682 1089801475 /nfs/dbraw/zinc/80/14/75/1089801475.db2.gz JIYDEQOYNSJKSW-UHFFFAOYSA-N 1 2 372.428 4.024 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c(F)c1 ZINC000512226198 1091932285 /nfs/dbraw/zinc/93/22/85/1091932285.db2.gz HTHGLPIGKJJGPZ-UHFFFAOYSA-N 1 2 370.497 4.134 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000512506147 1092596763 /nfs/dbraw/zinc/59/67/63/1092596763.db2.gz HQQYCFLXYRYRJU-SFHVURJKSA-N 1 2 360.546 4.022 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000512506147 1092596774 /nfs/dbraw/zinc/59/67/74/1092596774.db2.gz HQQYCFLXYRYRJU-SFHVURJKSA-N 1 2 360.546 4.022 20 30 FIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC000521474974 1092712914 /nfs/dbraw/zinc/71/29/14/1092712914.db2.gz LDFAOSMBGINVOD-GOSISDBHSA-N 1 2 364.836 4.221 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000512547216 1092901536 /nfs/dbraw/zinc/90/15/36/1092901536.db2.gz KOBWVLOIJZDUSS-GBESFXJTSA-N 1 2 360.546 4.020 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000512547216 1092901541 /nfs/dbraw/zinc/90/15/41/1092901541.db2.gz KOBWVLOIJZDUSS-GBESFXJTSA-N 1 2 360.546 4.020 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121067455 1092970498 /nfs/dbraw/zinc/97/04/98/1092970498.db2.gz OWLACOPIGBLNIY-CYBMUJFWSA-N 1 2 374.510 4.288 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000121067455 1092970501 /nfs/dbraw/zinc/97/05/01/1092970501.db2.gz OWLACOPIGBLNIY-CYBMUJFWSA-N 1 2 374.510 4.288 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509800341 1093377500 /nfs/dbraw/zinc/37/75/00/1093377500.db2.gz WBSCSDBKCMBRKL-ZDUSSCGKSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000509800341 1093377511 /nfs/dbraw/zinc/37/75/11/1093377511.db2.gz WBSCSDBKCMBRKL-ZDUSSCGKSA-N 1 2 369.303 4.228 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327967 1093589168 /nfs/dbraw/zinc/58/91/68/1093589168.db2.gz USEPQLWWDXAOHP-XJKSGUPXSA-N 1 2 371.868 4.238 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433327967 1093589176 /nfs/dbraw/zinc/58/91/76/1093589176.db2.gz USEPQLWWDXAOHP-XJKSGUPXSA-N 1 2 371.868 4.238 20 30 FIEDLO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428293343 1093639316 /nfs/dbraw/zinc/63/93/16/1093639316.db2.gz AZRQHTINJAISCS-FQEVSTJZSA-N 1 2 354.425 4.178 20 30 FIEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)cc1 ZINC000614361110 1093757019 /nfs/dbraw/zinc/75/70/19/1093757019.db2.gz BTCIULXZFSHVNO-UHFFFAOYSA-N 1 2 357.457 4.214 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056220 1094723610 /nfs/dbraw/zinc/72/36/10/1094723610.db2.gz SOKAIUJUVVSREU-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)n1 ZINC000329056220 1094723625 /nfs/dbraw/zinc/72/36/25/1094723625.db2.gz SOKAIUJUVVSREU-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329251918 1094799434 /nfs/dbraw/zinc/79/94/34/1094799434.db2.gz VDLLOUJOIDICKZ-QWHCGFSZSA-N 1 2 358.511 4.341 20 30 FIEDLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329307475 1094829549 /nfs/dbraw/zinc/82/95/49/1094829549.db2.gz YIEJAAFOIFTDSB-INIZCTEOSA-N 1 2 374.872 4.070 20 30 FIEDLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329307475 1094829566 /nfs/dbraw/zinc/82/95/66/1094829566.db2.gz YIEJAAFOIFTDSB-INIZCTEOSA-N 1 2 374.872 4.070 20 30 FIEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329321610 1094840472 /nfs/dbraw/zinc/84/04/72/1094840472.db2.gz RPTCUPQMYFLRKI-GOSISDBHSA-N 1 2 371.525 4.086 20 30 FIEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329321610 1094840484 /nfs/dbraw/zinc/84/04/84/1094840484.db2.gz RPTCUPQMYFLRKI-GOSISDBHSA-N 1 2 371.525 4.086 20 30 FIEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329676885 1095093436 /nfs/dbraw/zinc/09/34/36/1095093436.db2.gz WIVITOXCOHIQOB-IRXDYDNUSA-N 1 2 366.461 4.274 20 30 FIEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329676885 1095093450 /nfs/dbraw/zinc/09/34/50/1095093450.db2.gz WIVITOXCOHIQOB-IRXDYDNUSA-N 1 2 366.461 4.274 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccs1 ZINC000019540374 1095099608 /nfs/dbraw/zinc/09/96/08/1095099608.db2.gz VBESRLIVJWWEQR-UHFFFAOYSA-N 1 2 365.296 4.137 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccs1 ZINC000019540374 1095099618 /nfs/dbraw/zinc/09/96/18/1095099618.db2.gz VBESRLIVJWWEQR-UHFFFAOYSA-N 1 2 365.296 4.137 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329729259 1095225013 /nfs/dbraw/zinc/22/50/13/1095225013.db2.gz CVUNUBXLUPFGKK-ZLIFDBKOSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329729259 1095225018 /nfs/dbraw/zinc/22/50/18/1095225018.db2.gz CVUNUBXLUPFGKK-ZLIFDBKOSA-N 1 2 366.889 4.215 20 30 FIEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329781745 1095263283 /nfs/dbraw/zinc/26/32/83/1095263283.db2.gz NKNMOCPXSWEFLI-AWEZNQCLSA-N 1 2 366.889 4.136 20 30 FIEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000329781745 1095263299 /nfs/dbraw/zinc/26/32/99/1095263299.db2.gz NKNMOCPXSWEFLI-AWEZNQCLSA-N 1 2 366.889 4.136 20 30 FIEDLO CSc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000329804250 1095270585 /nfs/dbraw/zinc/27/05/85/1095270585.db2.gz LURIXCBXCPODGV-HDMKZQKVSA-N 1 2 358.511 4.163 20 30 FIEDLO CSc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000329804249 1095270705 /nfs/dbraw/zinc/27/07/05/1095270705.db2.gz LURIXCBXCPODGV-DAYGRLMNSA-N 1 2 358.511 4.163 20 30 FIEDLO Cc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C)[nH+]1 ZINC000421063737 1095290744 /nfs/dbraw/zinc/29/07/44/1095290744.db2.gz NJGZKWRQDJBWDV-OAHLLOKOSA-N 1 2 354.479 4.414 20 30 FIEDLO O=C1C=COC2(CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)C1 ZINC000896881730 1095325869 /nfs/dbraw/zinc/32/58/69/1095325869.db2.gz DJKAQQVJLDRDLQ-UHFFFAOYSA-N 1 2 362.351 4.096 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099198 1095379853 /nfs/dbraw/zinc/37/98/53/1095379853.db2.gz CSXVEWPWXPYHLP-FGSXEWAUSA-N 1 2 374.525 4.365 20 30 FIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099198 1095379870 /nfs/dbraw/zinc/37/98/70/1095379870.db2.gz CSXVEWPWXPYHLP-FGSXEWAUSA-N 1 2 374.525 4.365 20 30 FIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330101059 1095381668 /nfs/dbraw/zinc/38/16/68/1095381668.db2.gz FEZHEPIGWBURBJ-JLHGSKIFSA-N 1 2 368.477 4.086 20 30 FIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330101059 1095381675 /nfs/dbraw/zinc/38/16/75/1095381675.db2.gz FEZHEPIGWBURBJ-JLHGSKIFSA-N 1 2 368.477 4.086 20 30 FIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000330156237 1095399161 /nfs/dbraw/zinc/39/91/61/1095399161.db2.gz YRDLDUOEKPRWGV-KBMXLJTQSA-N 1 2 351.516 4.168 20 30 FIEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000330156237 1095399174 /nfs/dbraw/zinc/39/91/74/1095399174.db2.gz YRDLDUOEKPRWGV-KBMXLJTQSA-N 1 2 351.516 4.168 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000330186196 1095408901 /nfs/dbraw/zinc/40/89/01/1095408901.db2.gz RWAHVPZUJMKSNN-GFOJFJKKSA-N 1 2 366.509 4.406 20 30 FIEDLO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330229647 1095427506 /nfs/dbraw/zinc/42/75/06/1095427506.db2.gz QESKRKVASVRGDN-ZDUSSCGKSA-N 1 2 360.408 4.002 20 30 FIEDLO Cc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)[nH+]1 ZINC000517655283 1100576326 /nfs/dbraw/zinc/57/63/26/1100576326.db2.gz FVBJABQJYJCBHG-UHFFFAOYSA-N 1 2 358.401 4.318 20 30 FIEDLO CCc1cc(C#N)ccc1OC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001270383566 1100881610 /nfs/dbraw/zinc/88/16/10/1100881610.db2.gz ZKDSBECKHLBFSZ-NRFANRHFSA-N 1 2 362.473 4.389 20 30 FIEDLO CCc1cc(C#N)ccc1OC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001270383566 1100881621 /nfs/dbraw/zinc/88/16/21/1100881621.db2.gz ZKDSBECKHLBFSZ-NRFANRHFSA-N 1 2 362.473 4.389 20 30 FIEDLO CSc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000439480180 1101496190 /nfs/dbraw/zinc/49/61/90/1101496190.db2.gz XDCQCUPGAQYRGW-CYBMUJFWSA-N 1 2 350.447 4.181 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000537172112 1101517009 /nfs/dbraw/zinc/51/70/09/1101517009.db2.gz YTUPJSOOHASJAY-RBUKOAKNSA-N 1 2 366.480 4.391 20 30 FIEDLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000182086470 1101597359 /nfs/dbraw/zinc/59/73/59/1101597359.db2.gz UHOCSUDKNOSJLV-HXOBKFHXSA-N 1 2 373.456 4.433 20 30 FIEDLO N#CCC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000164312261 1102392963 /nfs/dbraw/zinc/39/29/63/1102392963.db2.gz NHWPEHRZRCSGIJ-LJQANCHMSA-N 1 2 354.417 4.272 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(OC)cc1 ZINC000532483609 1102427003 /nfs/dbraw/zinc/42/70/03/1102427003.db2.gz UPJMBWZGSUSYFJ-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(OC)cc1 ZINC000532483609 1102427007 /nfs/dbraw/zinc/42/70/07/1102427007.db2.gz UPJMBWZGSUSYFJ-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccn1 ZINC000124042017 1102640669 /nfs/dbraw/zinc/64/06/69/1102640669.db2.gz UWTWXOUKEMFTSQ-SBUREZEXSA-N 1 2 373.456 4.260 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccccc1F ZINC000535256163 1102919537 /nfs/dbraw/zinc/91/95/37/1102919537.db2.gz YEEUIOJJOFGNEJ-UHFFFAOYSA-N 1 2 370.453 4.275 20 30 FIEDLO COc1cc(F)c(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000760268836 1103077985 /nfs/dbraw/zinc/07/79/85/1103077985.db2.gz CEFSEVTZRBKNJJ-SNAWJCMRSA-N 1 2 360.772 4.040 20 30 FIEDLO C=CC[NH+](CC=C)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000551514657 1103307971 /nfs/dbraw/zinc/30/79/71/1103307971.db2.gz JOSIBHMCFSUJHZ-NRFANRHFSA-N 1 2 350.462 4.439 20 30 FIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)Nc2ncc3c(c2C#N)CCC3)c(C)c1 ZINC000519709078 1103812990 /nfs/dbraw/zinc/81/29/90/1103812990.db2.gz IUQYFKGLHMMOFW-OAQYLSRUSA-N 1 2 357.461 4.109 20 30 FIEDLO CC1(C)CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328812458 1104562547 /nfs/dbraw/zinc/56/25/47/1104562547.db2.gz NBJFQUDVOCLZIF-GOSISDBHSA-N 1 2 350.466 4.316 20 30 FIEDLO CC1(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCCC1 ZINC000328798203 1104571023 /nfs/dbraw/zinc/57/10/23/1104571023.db2.gz FVESAUCNLZECJR-UHFFFAOYSA-N 1 2 350.466 4.460 20 30 FIEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000328917823 1104600558 /nfs/dbraw/zinc/60/05/58/1104600558.db2.gz RYVDTJXJPRAGIO-SJORKVTESA-N 1 2 373.522 4.120 20 30 FIEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000328917823 1104600564 /nfs/dbraw/zinc/60/05/64/1104600564.db2.gz RYVDTJXJPRAGIO-SJORKVTESA-N 1 2 373.522 4.120 20 30 FIEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518825051 1104990331 /nfs/dbraw/zinc/99/03/31/1104990331.db2.gz MUCGZSCFRJXQND-DOTOQJQBSA-N 1 2 361.432 4.126 20 30 FIEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000518825051 1104990334 /nfs/dbraw/zinc/99/03/34/1104990334.db2.gz MUCGZSCFRJXQND-DOTOQJQBSA-N 1 2 361.432 4.126 20 30 FIEDLO C=CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000665625442 1106875143 /nfs/dbraw/zinc/87/51/43/1106875143.db2.gz CSWIHVJRZVYUAS-ROUUACIJSA-N 1 2 371.525 4.306 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000665626171 1106879706 /nfs/dbraw/zinc/87/97/06/1106879706.db2.gz RPJDJRCVAPOEIW-CEXWTWQISA-N 1 2 371.525 4.116 20 30 FIEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000665626171 1106879717 /nfs/dbraw/zinc/87/97/17/1106879717.db2.gz RPJDJRCVAPOEIW-CEXWTWQISA-N 1 2 371.525 4.116 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002486 1106881453 /nfs/dbraw/zinc/88/14/53/1106881453.db2.gz LMJDGIKSMRGNGL-OAHLLOKOSA-N 1 2 356.267 4.095 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002486 1106881480 /nfs/dbraw/zinc/88/14/80/1106881480.db2.gz LMJDGIKSMRGNGL-OAHLLOKOSA-N 1 2 356.267 4.095 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451985418 1107414879 /nfs/dbraw/zinc/41/48/79/1107414879.db2.gz WTSVNOLSYFLMDO-MRXNPFEDSA-N 1 2 351.313 4.040 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451985418 1107414884 /nfs/dbraw/zinc/41/48/84/1107414884.db2.gz WTSVNOLSYFLMDO-MRXNPFEDSA-N 1 2 351.313 4.040 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC(F)F)c1 ZINC000441241509 1109504385 /nfs/dbraw/zinc/50/43/85/1109504385.db2.gz YPQDVCVGUROYDO-UHFFFAOYSA-N 1 2 373.359 4.232 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC(F)F)c1 ZINC000441241509 1109504390 /nfs/dbraw/zinc/50/43/90/1109504390.db2.gz YPQDVCVGUROYDO-UHFFFAOYSA-N 1 2 373.359 4.232 20 30 FIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000448136638 1109729663 /nfs/dbraw/zinc/72/96/63/1109729663.db2.gz IDIMGSFCGMUGKO-IBGZPJMESA-N 1 2 372.559 4.053 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000552579474 1111749335 /nfs/dbraw/zinc/74/93/35/1111749335.db2.gz LIEGEZYVBOAULT-HNNXBMFYSA-N 1 2 374.937 4.363 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000552579474 1111749341 /nfs/dbraw/zinc/74/93/41/1111749341.db2.gz LIEGEZYVBOAULT-HNNXBMFYSA-N 1 2 374.937 4.363 20 30 FIEDLO COc1ccc2ccccc2c1-c1cc(C[NH2+]C[C@@H](C#N)CCC#N)on1 ZINC000554264582 1112273201 /nfs/dbraw/zinc/27/32/01/1112273201.db2.gz ZBGOQJYOPCFGDD-OAHLLOKOSA-N 1 2 360.417 4.037 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H]1OCCc2ccccc21 ZINC000480706664 1112556058 /nfs/dbraw/zinc/55/60/58/1112556058.db2.gz TXCLKGWCUOMRPF-LJQANCHMSA-N 1 2 371.278 4.067 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1OCCc2ccccc21 ZINC000480706664 1112556069 /nfs/dbraw/zinc/55/60/69/1112556069.db2.gz TXCLKGWCUOMRPF-LJQANCHMSA-N 1 2 371.278 4.067 20 30 FIEDLO C=CCCCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480855171 1112637681 /nfs/dbraw/zinc/63/76/81/1112637681.db2.gz QBYYYMFSORLQTL-UHFFFAOYSA-N 1 2 358.530 4.082 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1c(F)cccc1F ZINC000481266064 1112840334 /nfs/dbraw/zinc/84/03/34/1112840334.db2.gz CBEDSVRZDJMAPB-JTQLQIEISA-N 1 2 351.194 4.450 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483111040 1113444645 /nfs/dbraw/zinc/44/46/45/1113444645.db2.gz OTIXPTYCWHFTBS-UHFFFAOYSA-N 1 2 359.882 4.091 20 30 FIEDLO C=CC[N@H+](Cc1ccsc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483270136 1113477455 /nfs/dbraw/zinc/47/74/55/1113477455.db2.gz JWJYMFLJWOVMGI-ZDUSSCGKSA-N 1 2 359.886 4.126 20 30 FIEDLO C=CC[N@@H+](Cc1ccsc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483270136 1113477458 /nfs/dbraw/zinc/47/74/58/1113477458.db2.gz JWJYMFLJWOVMGI-ZDUSSCGKSA-N 1 2 359.886 4.126 20 30 FIEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000489403521 1114099299 /nfs/dbraw/zinc/09/92/99/1114099299.db2.gz NPOFRUXYJMDTNR-JTQLQIEISA-N 1 2 354.273 4.101 20 30 FIEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000489403521 1114099302 /nfs/dbraw/zinc/09/93/02/1114099302.db2.gz NPOFRUXYJMDTNR-JTQLQIEISA-N 1 2 354.273 4.101 20 30 FIEDLO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000029168231 1114174468 /nfs/dbraw/zinc/17/44/68/1114174468.db2.gz SAJPRPHGSMZIKJ-UHFFFAOYSA-N 1 2 367.518 4.212 20 30 FIEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000490242571 1114250702 /nfs/dbraw/zinc/25/07/02/1114250702.db2.gz JRUBEWOGUPGQGC-XLIONFOSSA-N 1 2 354.519 4.313 20 30 FIEDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000571688982 1114491643 /nfs/dbraw/zinc/49/16/43/1114491643.db2.gz ZBCBIPSQTSIANY-NRFANRHFSA-N 1 2 374.444 4.166 20 30 FIEDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000571688982 1114491645 /nfs/dbraw/zinc/49/16/45/1114491645.db2.gz ZBCBIPSQTSIANY-NRFANRHFSA-N 1 2 374.444 4.166 20 30 FIEDLO N#Cc1cc(Cl)cc(Br)c1NCc1cn2c([nH+]1)CCCC2 ZINC000587802971 1114494991 /nfs/dbraw/zinc/49/49/91/1114494991.db2.gz LXYAQVNEVAXWIZ-UHFFFAOYSA-N 1 2 365.662 4.119 20 30 FIEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000591760822 1115126230 /nfs/dbraw/zinc/12/62/30/1115126230.db2.gz ZURVOKJPNHBAFD-RISCZKNCSA-N 1 2 374.204 4.476 20 30 FIEDLO N#CC1(c2cccc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)c2)CCOCC1 ZINC000593952515 1115362784 /nfs/dbraw/zinc/36/27/84/1115362784.db2.gz LHLKNNMQQMRROQ-UHFFFAOYSA-N 1 2 361.420 4.309 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4cccc(Cl)c4)o3)CCC2)cc1 ZINC000594032202 1115366757 /nfs/dbraw/zinc/36/67/57/1115366757.db2.gz SDAKNPRCIWDKST-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO N#CC[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000574579412 1115418909 /nfs/dbraw/zinc/41/89/09/1115418909.db2.gz HDTXMGIEIPNNOP-UFYCRDLUSA-N 1 2 362.477 4.008 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594711428 1115478220 /nfs/dbraw/zinc/47/82/20/1115478220.db2.gz NHLGCNMMCLUJTJ-NWDGAFQWSA-N 1 2 374.535 4.023 20 30 FIEDLO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC000595617545 1115551225 /nfs/dbraw/zinc/55/12/25/1115551225.db2.gz WTCPFAZKCOTXTI-QGZVFWFLSA-N 1 2 374.488 4.379 20 30 FIEDLO CCn1c2ccccc2c2cc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC000595617545 1115551228 /nfs/dbraw/zinc/55/12/28/1115551228.db2.gz WTCPFAZKCOTXTI-QGZVFWFLSA-N 1 2 374.488 4.379 20 30 FIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(C3CCCC3)n2)CC1 ZINC000063994464 1116134382 /nfs/dbraw/zinc/13/43/82/1116134382.db2.gz NMGRFQZYUDQMBJ-UHFFFAOYSA-N 1 2 366.534 4.385 20 30 FIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(C3CCCC3)n2)CC1 ZINC000063994464 1116134383 /nfs/dbraw/zinc/13/43/83/1116134383.db2.gz NMGRFQZYUDQMBJ-UHFFFAOYSA-N 1 2 366.534 4.385 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000535375022 1116300714 /nfs/dbraw/zinc/30/07/14/1116300714.db2.gz JNHOVFUXUPATJV-CYBMUJFWSA-N 1 2 357.523 4.114 20 30 FIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000535375022 1116300715 /nfs/dbraw/zinc/30/07/15/1116300715.db2.gz JNHOVFUXUPATJV-CYBMUJFWSA-N 1 2 357.523 4.114 20 30 FIEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889059 1116395316 /nfs/dbraw/zinc/39/53/16/1116395316.db2.gz QHNAMZRMYOQEGK-UONOGXRCSA-N 1 2 362.408 4.255 20 30 FIEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000539889059 1116395318 /nfs/dbraw/zinc/39/53/18/1116395318.db2.gz QHNAMZRMYOQEGK-UONOGXRCSA-N 1 2 362.408 4.255 20 30 FIEDLO CCc1cc(OCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2[nH+]1 ZINC000539952559 1117771027 /nfs/dbraw/zinc/77/10/27/1117771027.db2.gz HMZVDMJTHBZJIS-UHFFFAOYSA-N 1 2 356.385 4.298 20 30 FIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000463071043 1117956452 /nfs/dbraw/zinc/95/64/52/1117956452.db2.gz QHPYKPIKLWKOCA-CQSZACIVSA-N 1 2 370.840 4.003 20 30 FIEDLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(CC#N)CC1 ZINC000541019073 1118356521 /nfs/dbraw/zinc/35/65/21/1118356521.db2.gz FITKSRKKXWZYBZ-CHWSQXEVSA-N 1 2 370.522 4.208 20 30 FIEDLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(CC#N)CC1 ZINC000541019076 1118356711 /nfs/dbraw/zinc/35/67/11/1118356711.db2.gz FITKSRKKXWZYBZ-OLZOCXBDSA-N 1 2 370.522 4.208 20 30 FIEDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](c2ccco2)C1 ZINC000464847745 1118720730 /nfs/dbraw/zinc/72/07/30/1118720730.db2.gz GPUUXSDMDHFJOW-SUMWQHHRSA-N 1 2 357.841 4.216 20 30 FIEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H](c2ccco2)C1 ZINC000464847745 1118720734 /nfs/dbraw/zinc/72/07/34/1118720734.db2.gz GPUUXSDMDHFJOW-SUMWQHHRSA-N 1 2 357.841 4.216 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000152708556 1119489760 /nfs/dbraw/zinc/48/97/60/1119489760.db2.gz ULWQXPVZBCNGEX-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000152708556 1119489763 /nfs/dbraw/zinc/48/97/63/1119489763.db2.gz ULWQXPVZBCNGEX-INIZCTEOSA-N 1 2 357.527 4.132 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C)[nH+]c1C ZINC000187299823 1119776827 /nfs/dbraw/zinc/77/68/27/1119776827.db2.gz OOWWIDBTRVTGAB-UHFFFAOYSA-N 1 2 350.491 4.359 20 30 FIEDLO Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000761756208 1120337039 /nfs/dbraw/zinc/33/70/39/1120337039.db2.gz GHPLYSRAHCKOFK-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000761756208 1120337045 /nfs/dbraw/zinc/33/70/45/1120337045.db2.gz GHPLYSRAHCKOFK-JOCHJYFZSA-N 1 2 350.462 4.018 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000761760649 1120351720 /nfs/dbraw/zinc/35/17/20/1120351720.db2.gz WSSIEROJOJLGSQ-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CCO2)c1 ZINC000761760649 1120351726 /nfs/dbraw/zinc/35/17/26/1120351726.db2.gz WSSIEROJOJLGSQ-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762141122 1120739209 /nfs/dbraw/zinc/73/92/09/1120739209.db2.gz IDWYSECPAZSIMS-QGZVFWFLSA-N 1 2 368.550 4.413 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762141122 1120739217 /nfs/dbraw/zinc/73/92/17/1120739217.db2.gz IDWYSECPAZSIMS-QGZVFWFLSA-N 1 2 368.550 4.413 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N\CC1([NH+]2CCSCC2)CCCC1 ZINC000915112773 1120819733 /nfs/dbraw/zinc/81/97/33/1120819733.db2.gz FTLFRXLYVZYLSG-JAIQZWGSSA-N 1 2 373.349 4.480 20 30 FIEDLO COc1ccc(OC(F)(F)F)cc1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168495568 1120994602 /nfs/dbraw/zinc/99/46/02/1120994602.db2.gz JPPHRMWKFNVDSU-UHFFFAOYSA-N 1 2 363.339 4.156 20 30 FIEDLO Fc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000172255171 1121123676 /nfs/dbraw/zinc/12/36/76/1121123676.db2.gz FPVGDYVWNWRISY-UHFFFAOYSA-N 1 2 373.268 4.009 20 30 FIEDLO Fc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000172255171 1121123679 /nfs/dbraw/zinc/12/36/79/1121123679.db2.gz FPVGDYVWNWRISY-UHFFFAOYSA-N 1 2 373.268 4.009 20 30 FIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332352 1121334758 /nfs/dbraw/zinc/33/47/58/1121334758.db2.gz LBEGDOZCDZHLTN-GOSISDBHSA-N 1 2 354.523 4.265 20 30 FIEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763332352 1121334764 /nfs/dbraw/zinc/33/47/64/1121334764.db2.gz LBEGDOZCDZHLTN-GOSISDBHSA-N 1 2 354.523 4.265 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000069067597 1122550002 /nfs/dbraw/zinc/55/00/02/1122550002.db2.gz JHNPDCKLGDJOJX-MRXNPFEDSA-N 1 2 368.481 4.316 20 30 FIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000069067597 1122550005 /nfs/dbraw/zinc/55/00/05/1122550005.db2.gz JHNPDCKLGDJOJX-MRXNPFEDSA-N 1 2 368.481 4.316 20 30 FIEDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O ZINC000175682320 1123944640 /nfs/dbraw/zinc/94/46/40/1123944640.db2.gz HDEOQQTYHDHGIJ-UHFFFAOYSA-N 1 2 373.268 4.051 20 30 FIEDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O ZINC000175682320 1123944643 /nfs/dbraw/zinc/94/46/43/1123944643.db2.gz HDEOQQTYHDHGIJ-UHFFFAOYSA-N 1 2 373.268 4.051 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000108085020 1124233981 /nfs/dbraw/zinc/23/39/81/1124233981.db2.gz YDSMFPRHUOOBCC-SFHVURJKSA-N 1 2 367.468 4.382 20 30 FIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)c1 ZINC000108085020 1124233984 /nfs/dbraw/zinc/23/39/84/1124233984.db2.gz YDSMFPRHUOOBCC-SFHVURJKSA-N 1 2 367.468 4.382 20 30 FIEDLO C[NH+](C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1c(F)cccc1F ZINC000301958042 1124272264 /nfs/dbraw/zinc/27/22/64/1124272264.db2.gz AWAJVAHICBLFCO-SFHVURJKSA-N 1 2 352.388 4.099 20 30 FIEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1Cl ZINC000110670306 1124769344 /nfs/dbraw/zinc/76/93/44/1124769344.db2.gz GOAABQPFFCKWRT-UHFFFAOYSA-N 1 2 352.290 4.249 20 30 FIEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)Cc1cccs1 ZINC000252017319 1125052206 /nfs/dbraw/zinc/05/22/06/1125052206.db2.gz WHMYIPIYQBGOGH-KRWDZBQOSA-N 1 2 360.548 4.334 20 30 FIEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)Cc1cccs1 ZINC000252017319 1125052214 /nfs/dbraw/zinc/05/22/14/1125052214.db2.gz WHMYIPIYQBGOGH-KRWDZBQOSA-N 1 2 360.548 4.334 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1ccc(C)c(C)c1 ZINC000602642757 568003382 /nfs/dbraw/zinc/00/33/82/568003382.db2.gz MGTMPNSPEQBJGP-UHFFFAOYSA-N 1 2 368.506 4.228 20 30 FIEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602691450 568015365 /nfs/dbraw/zinc/01/53/65/568015365.db2.gz GIXITVILSJCOKQ-SUMWQHHRSA-N 1 2 362.399 4.304 20 30 FIEDLO CC1(C)[NH2+]C2(CCC(C#N)(c3ccccc3)CC2)N(c2ccccc2)C1=O ZINC000602755088 568031395 /nfs/dbraw/zinc/03/13/95/568031395.db2.gz GAMADECTGZPDTH-UHFFFAOYSA-N 1 2 359.473 4.133 20 30 FIEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1(C)Cc2ccccc2C1 ZINC000330274880 568076201 /nfs/dbraw/zinc/07/62/01/568076201.db2.gz KTFJNTHSHLHMLZ-IBGZPJMESA-N 1 2 366.509 4.149 20 30 FIEDLO Cc1nc2cc(Cl)c(NCc3c[nH+]c4ccc(C#N)cn34)cc2s1 ZINC000481826503 568136290 /nfs/dbraw/zinc/13/62/90/568136290.db2.gz XEMLUCXHPMZSKE-UHFFFAOYSA-N 1 2 353.838 4.390 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000604276374 568239882 /nfs/dbraw/zinc/23/98/82/568239882.db2.gz LHALCUMPVUKRDB-RYUDHWBXSA-N 1 2 354.269 4.260 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000078508309 1125546599 /nfs/dbraw/zinc/54/65/99/1125546599.db2.gz BREHQNHVMJRCJD-LLVKDONJSA-N 1 2 363.795 4.121 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000078508309 1125546604 /nfs/dbraw/zinc/54/66/04/1125546604.db2.gz BREHQNHVMJRCJD-LLVKDONJSA-N 1 2 363.795 4.121 20 30 FIEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)nc1 ZINC000430172228 1079707253 /nfs/dbraw/zinc/70/72/53/1079707253.db2.gz CWNZCWLYWGKWCE-ZDUSSCGKSA-N 1 2 366.223 4.052 20 30 FIEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)nc1 ZINC000430172228 1079707262 /nfs/dbraw/zinc/70/72/62/1079707262.db2.gz CWNZCWLYWGKWCE-ZDUSSCGKSA-N 1 2 366.223 4.052 20 30 FIEDLO Cc1ccc2nc(N3CCC(n4cc[nH+]c4)CC3)c(C#N)c(Cl)c2c1 ZINC001167129461 1080655853 /nfs/dbraw/zinc/65/58/53/1080655853.db2.gz LQTJSXCHZIYCLD-UHFFFAOYSA-N 1 2 351.841 4.106 20 30 FIEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4C[C@H](C3)c3cc5nccnc5cc34)c2c1 ZINC001167173237 1080789906 /nfs/dbraw/zinc/78/99/06/1080789906.db2.gz CIMBYXRFBDKION-CALCHBBNSA-N 1 2 363.424 4.141 20 30 FIEDLO COc1c(Br)cccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000547838453 1080949808 /nfs/dbraw/zinc/94/98/08/1080949808.db2.gz QTRVCPUMYRYPGA-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO COc1c(Br)cccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000547838453 1080949809 /nfs/dbraw/zinc/94/98/09/1080949809.db2.gz QTRVCPUMYRYPGA-UHFFFAOYSA-N 1 2 363.230 4.100 20 30 FIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869321 1081272084 /nfs/dbraw/zinc/27/20/84/1081272084.db2.gz DFJSHKOIOHQEID-NRFANRHFSA-N 1 2 374.488 4.102 20 30 FIEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610368913 1081553603 /nfs/dbraw/zinc/55/36/03/1081553603.db2.gz FGWDAWADZGLBED-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610368913 1081553606 /nfs/dbraw/zinc/55/36/06/1081553606.db2.gz FGWDAWADZGLBED-IBGZPJMESA-N 1 2 374.444 4.344 20 30 FIEDLO C#CC[N@@H+](Cc1ccnc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420895 1082030616 /nfs/dbraw/zinc/03/06/16/1082030616.db2.gz LKOCMVIJPGZPTC-GOSISDBHSA-N 1 2 371.278 4.112 20 30 FIEDLO C#CC[N@H+](Cc1ccnc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420895 1082030621 /nfs/dbraw/zinc/03/06/21/1082030621.db2.gz LKOCMVIJPGZPTC-GOSISDBHSA-N 1 2 371.278 4.112 20 30 FIEDLO N#CCC1CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC000581288708 1082435815 /nfs/dbraw/zinc/43/58/15/1082435815.db2.gz PQIKMXLGZXJPQV-UHFFFAOYSA-N 1 2 374.653 4.070 20 30 FIEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000477160220 1082734664 /nfs/dbraw/zinc/73/46/64/1082734664.db2.gz CSTAYDHNHUSZMX-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000477160220 1082734670 /nfs/dbraw/zinc/73/46/70/1082734670.db2.gz CSTAYDHNHUSZMX-HXUWFJFHSA-N 1 2 356.853 4.054 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000101599548 1083021172 /nfs/dbraw/zinc/02/11/72/1083021172.db2.gz MNXTVXLFJNSYBE-QFIPXVFZSA-N 1 2 352.441 4.324 20 30 FIEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430876691 1083216733 /nfs/dbraw/zinc/21/67/33/1083216733.db2.gz GNHCTOBSIXVLJR-FQEVSTJZSA-N 1 2 352.482 4.313 20 30 FIEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430876691 1083216735 /nfs/dbraw/zinc/21/67/35/1083216735.db2.gz GNHCTOBSIXVLJR-FQEVSTJZSA-N 1 2 352.482 4.313 20 30 FIEDLO C=CCCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430898536 1083227146 /nfs/dbraw/zinc/22/71/46/1083227146.db2.gz CSWVPUHGYKHPFQ-UHFFFAOYSA-N 1 2 360.889 4.105 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1cccs1 ZINC000510793360 1083313094 /nfs/dbraw/zinc/31/30/94/1083313094.db2.gz CGKPIIUWEMSOTF-UHFFFAOYSA-N 1 2 360.548 4.117 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1cccs1 ZINC000510793360 1083313103 /nfs/dbraw/zinc/31/31/03/1083313103.db2.gz CGKPIIUWEMSOTF-UHFFFAOYSA-N 1 2 360.548 4.117 20 30 FIEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091271 1083440283 /nfs/dbraw/zinc/44/02/83/1083440283.db2.gz YNIRSSHWOGUSFL-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091271 1083440288 /nfs/dbraw/zinc/44/02/88/1083440288.db2.gz YNIRSSHWOGUSFL-UHFFFAOYSA-N 1 2 373.298 4.069 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000635724831 1083458493 /nfs/dbraw/zinc/45/84/93/1083458493.db2.gz HXZYKYRGBVWHPP-OAGGEKHMSA-N 1 2 363.383 4.356 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000635724831 1083458498 /nfs/dbraw/zinc/45/84/98/1083458498.db2.gz HXZYKYRGBVWHPP-OAGGEKHMSA-N 1 2 363.383 4.356 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405702 1083779778 /nfs/dbraw/zinc/77/97/78/1083779778.db2.gz CICXFBGWNKAKKL-FQEVSTJZSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405702 1083779786 /nfs/dbraw/zinc/77/97/86/1083779786.db2.gz CICXFBGWNKAKKL-FQEVSTJZSA-N 1 2 356.901 4.327 20 30 FIEDLO N#Cc1cnc2c(Cl)cccc2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000580711293 1084463133 /nfs/dbraw/zinc/46/31/33/1084463133.db2.gz AHOGNKULNHCWJN-UHFFFAOYSA-N 1 2 363.852 4.236 20 30 FIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000580900455 1084484229 /nfs/dbraw/zinc/48/42/29/1084484229.db2.gz LEQRPXNEOXPVBD-LJQANCHMSA-N 1 2 371.868 4.240 20 30 FIEDLO C[C@@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000479549842 1085210231 /nfs/dbraw/zinc/21/02/31/1085210231.db2.gz ALRVBZIZCWNQNA-HWPZZCPQSA-N 1 2 353.224 4.388 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2Br)o1)[C@@H](C)COC ZINC000661242155 1085477066 /nfs/dbraw/zinc/47/70/66/1085477066.db2.gz HOVMHUNSRINNJU-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2Br)o1)[C@@H](C)COC ZINC000661242155 1085477071 /nfs/dbraw/zinc/47/70/71/1085477071.db2.gz HOVMHUNSRINNJU-ZDUSSCGKSA-N 1 2 365.271 4.127 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651805492 1085511303 /nfs/dbraw/zinc/51/13/03/1085511303.db2.gz SRMKDXIZTPWATA-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651805492 1085511306 /nfs/dbraw/zinc/51/13/06/1085511306.db2.gz SRMKDXIZTPWATA-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075595607 1085533179 /nfs/dbraw/zinc/53/31/79/1085533179.db2.gz UPCSHHWVWKQFMF-GFCCVEGCSA-N 1 2 354.360 4.079 20 30 FIEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075595607 1085533186 /nfs/dbraw/zinc/53/31/86/1085533186.db2.gz UPCSHHWVWKQFMF-GFCCVEGCSA-N 1 2 354.360 4.079 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1cccs1 ZINC000097474176 1085562263 /nfs/dbraw/zinc/56/22/63/1085562263.db2.gz ICPRWSSXJIYGHJ-CQSZACIVSA-N 1 2 364.461 4.234 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1cccs1 ZINC000097474176 1085562266 /nfs/dbraw/zinc/56/22/66/1085562266.db2.gz ICPRWSSXJIYGHJ-CQSZACIVSA-N 1 2 364.461 4.234 20 30 FIEDLO Cc1ccc(C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)o1 ZINC000051968013 1085871478 /nfs/dbraw/zinc/87/14/78/1085871478.db2.gz HPFJSGQAPRJULS-UHFFFAOYSA-N 1 2 365.477 4.116 20 30 FIEDLO Cc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)o1 ZINC000051968013 1085871483 /nfs/dbraw/zinc/87/14/83/1085871483.db2.gz HPFJSGQAPRJULS-UHFFFAOYSA-N 1 2 365.477 4.116 20 30 FIEDLO CC(C)(C)OC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000162265336 1086020632 /nfs/dbraw/zinc/02/06/32/1086020632.db2.gz BXMXZKDFFKHTLK-UHFFFAOYSA-N 1 2 367.493 4.017 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1F ZINC000512169852 1086871623 /nfs/dbraw/zinc/87/16/23/1086871623.db2.gz YQGVMWAECMINTJ-UHFFFAOYSA-N 1 2 368.246 4.252 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1F ZINC000512169852 1086871648 /nfs/dbraw/zinc/87/16/48/1086871648.db2.gz YQGVMWAECMINTJ-UHFFFAOYSA-N 1 2 368.246 4.252 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000472337276 1087601696 /nfs/dbraw/zinc/60/16/96/1087601696.db2.gz OWVIIPWXWVNOJS-IBGZPJMESA-N 1 2 369.534 4.469 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472337276 1087601698 /nfs/dbraw/zinc/60/16/98/1087601698.db2.gz OWVIIPWXWVNOJS-IBGZPJMESA-N 1 2 369.534 4.469 20 30 FIEDLO O=C1c2cccc(Br)c2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000782891144 1088503424 /nfs/dbraw/zinc/50/34/24/1088503424.db2.gz YXWBMDPUZRMGSO-BENRWUELSA-N 1 2 353.219 4.309 20 30 FIEDLO CC(C)n1c[nH+]cc1CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000425366241 1089594718 /nfs/dbraw/zinc/59/47/18/1089594718.db2.gz PBCONHMHXYVYPW-AWEZNQCLSA-N 1 2 350.388 4.397 20 30 FIEDLO CCOc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001143497173 1089655788 /nfs/dbraw/zinc/65/57/88/1089655788.db2.gz MITCRGRJDNMTNP-UHFFFAOYSA-N 1 2 372.415 4.279 20 30 FIEDLO C#CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCC1 ZINC000377748081 1089773095 /nfs/dbraw/zinc/77/30/95/1089773095.db2.gz SATXOJYPZMINQR-UHFFFAOYSA-N 1 2 360.461 4.012 20 30 FIEDLO COC1(C(F)(F)F)CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000418103299 1091063656 /nfs/dbraw/zinc/06/36/56/1091063656.db2.gz VWRNCRJHMLRALL-UHFFFAOYSA-N 1 2 359.285 4.388 20 30 FIEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1F ZINC000181636584 1091322063 /nfs/dbraw/zinc/32/20/63/1091322063.db2.gz FXGJODQMWBIYGP-LJQANCHMSA-N 1 2 368.387 4.373 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1OC(F)F ZINC000660535782 1091729691 /nfs/dbraw/zinc/72/96/91/1091729691.db2.gz CABPNLQOYOAMCP-UHFFFAOYSA-N 1 2 355.356 4.091 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1OC(F)F ZINC000660535782 1091729700 /nfs/dbraw/zinc/72/97/00/1091729700.db2.gz CABPNLQOYOAMCP-UHFFFAOYSA-N 1 2 355.356 4.091 20 30 FIEDLO C#CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)[C@H]1CCc2ccccc21 ZINC000107682528 1091797714 /nfs/dbraw/zinc/79/77/14/1091797714.db2.gz HERSGDHALNMLJQ-QFIPXVFZSA-N 1 2 360.501 4.373 20 30 FIEDLO C#CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)[C@H]1CCc2ccccc21 ZINC000107682528 1091797721 /nfs/dbraw/zinc/79/77/21/1091797721.db2.gz HERSGDHALNMLJQ-QFIPXVFZSA-N 1 2 360.501 4.373 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187192944 1091849482 /nfs/dbraw/zinc/84/94/82/1091849482.db2.gz BIYPFEXJTKOAEG-GFCCVEGCSA-N 1 2 365.246 4.399 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000093091312 1092253749 /nfs/dbraw/zinc/25/37/49/1092253749.db2.gz YBLSNHXNLJSPSG-UHFFFAOYSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000093091312 1092253763 /nfs/dbraw/zinc/25/37/63/1092253763.db2.gz YBLSNHXNLJSPSG-UHFFFAOYSA-N 1 2 356.901 4.327 20 30 FIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C#N)ccc2C)c(C)c1 ZINC000442193475 1092490170 /nfs/dbraw/zinc/49/01/70/1092490170.db2.gz ILLOUVUVCPDVJU-OAQYLSRUSA-N 1 2 373.460 4.243 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000512506920 1092598113 /nfs/dbraw/zinc/59/81/13/1092598113.db2.gz RQWNHVNAINRPCF-KRWDZBQOSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000512506920 1092598120 /nfs/dbraw/zinc/59/81/20/1092598120.db2.gz RQWNHVNAINRPCF-KRWDZBQOSA-N 1 2 372.488 4.317 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512512598 1092623986 /nfs/dbraw/zinc/62/39/86/1092623986.db2.gz XORXVOQCWOCGDY-MOPGFXCFSA-N 1 2 368.525 4.108 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512512598 1092623992 /nfs/dbraw/zinc/62/39/92/1092623992.db2.gz XORXVOQCWOCGDY-MOPGFXCFSA-N 1 2 368.525 4.108 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000512531140 1092656103 /nfs/dbraw/zinc/65/61/03/1092656103.db2.gz DHGFBGMUYOJUOW-MRXNPFEDSA-N 1 2 358.461 4.008 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000512531140 1092656107 /nfs/dbraw/zinc/65/61/07/1092656107.db2.gz DHGFBGMUYOJUOW-MRXNPFEDSA-N 1 2 358.461 4.008 20 30 FIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)n2)cc1 ZINC000443065874 1092925731 /nfs/dbraw/zinc/92/57/31/1092925731.db2.gz GQIKXJXNGJGRPA-CQSZACIVSA-N 1 2 362.433 4.030 20 30 FIEDLO N#CCCC[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccccc1 ZINC000433031808 1093134649 /nfs/dbraw/zinc/13/46/49/1093134649.db2.gz JOOVTZWJPNLNCK-FQEVSTJZSA-N 1 2 360.461 4.380 20 30 FIEDLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433036208 1093146554 /nfs/dbraw/zinc/14/65/54/1093146554.db2.gz SHURNZKAVKLDDM-FQEVSTJZSA-N 1 2 360.461 4.494 20 30 FIEDLO N#CC[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000411289420 1093215753 /nfs/dbraw/zinc/21/57/53/1093215753.db2.gz GXMALOKNRMXGBW-OAQYLSRUSA-N 1 2 367.518 4.112 20 30 FIEDLO N#CC[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000411289420 1093215759 /nfs/dbraw/zinc/21/57/59/1093215759.db2.gz GXMALOKNRMXGBW-OAQYLSRUSA-N 1 2 367.518 4.112 20 30 FIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000114172991 1093532145 /nfs/dbraw/zinc/53/21/45/1093532145.db2.gz FELARCBRKHRXLS-UHFFFAOYSA-N 1 2 360.417 4.116 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001141814999 1093584244 /nfs/dbraw/zinc/58/42/44/1093584244.db2.gz XHDBXXACMFQDBZ-CQSZACIVSA-N 1 2 359.242 4.449 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001141814999 1093584247 /nfs/dbraw/zinc/58/42/47/1093584247.db2.gz XHDBXXACMFQDBZ-CQSZACIVSA-N 1 2 359.242 4.449 20 30 FIEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1cc(C#N)ccc1F ZINC000542698981 1093884358 /nfs/dbraw/zinc/88/43/58/1093884358.db2.gz CHHHMTVQJFFQSA-UHFFFAOYSA-N 1 2 370.321 4.410 20 30 FIEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1cc(C#N)ccc1F ZINC000542698981 1093884367 /nfs/dbraw/zinc/88/43/67/1093884367.db2.gz CHHHMTVQJFFQSA-UHFFFAOYSA-N 1 2 370.321 4.410 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1 ZINC000182420609 1094123767 /nfs/dbraw/zinc/12/37/67/1094123767.db2.gz KISYDVRQKOIAJT-LBPRGKRZSA-N 1 2 372.350 4.478 20 30 FIEDLO N#CCCCOc1cccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000513440966 1094127540 /nfs/dbraw/zinc/12/75/40/1094127540.db2.gz YXHPDQGNXHXHCH-UHFFFAOYSA-N 1 2 360.461 4.295 20 30 FIEDLO N#CCCCOc1cccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000513440966 1094127544 /nfs/dbraw/zinc/12/75/44/1094127544.db2.gz YXHPDQGNXHXHCH-UHFFFAOYSA-N 1 2 360.461 4.295 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000501217024 1094563628 /nfs/dbraw/zinc/56/36/28/1094563628.db2.gz JRIMXXTYDGIUBY-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501217024 1094563638 /nfs/dbraw/zinc/56/36/38/1094563638.db2.gz JRIMXXTYDGIUBY-FQEVSTJZSA-N 1 2 360.461 4.274 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc4nsnc4c3)n2)CC1 ZINC000329078663 1094730274 /nfs/dbraw/zinc/73/02/74/1094730274.db2.gz BPEMTTVXHAVQBD-UHFFFAOYSA-N 1 2 373.507 4.016 20 30 FIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000366525860 1094750347 /nfs/dbraw/zinc/75/03/47/1094750347.db2.gz TVBCHBOBBLGSMS-UHFFFAOYSA-N 1 2 362.458 4.129 20 30 FIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501534132 1094761906 /nfs/dbraw/zinc/76/19/06/1094761906.db2.gz TYPJPTHHVKECRL-INIZCTEOSA-N 1 2 361.214 4.073 20 30 FIEDLO [O-]C(=[NH+]C1CCC(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329289393 1094818526 /nfs/dbraw/zinc/81/85/26/1094818526.db2.gz IAMIAAVDPALIRV-UUKMXZOPSA-N 1 2 370.472 4.127 20 30 FIEDLO O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329289393 1094818540 /nfs/dbraw/zinc/81/85/40/1094818540.db2.gz IAMIAAVDPALIRV-UUKMXZOPSA-N 1 2 370.472 4.127 20 30 FIEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329601994 1094994159 /nfs/dbraw/zinc/99/41/59/1094994159.db2.gz XVKKWDWRSQGKHH-IBGZPJMESA-N 1 2 367.493 4.312 20 30 FIEDLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329815260 1095274687 /nfs/dbraw/zinc/27/46/87/1095274687.db2.gz NVSHPNZDDCZWCQ-DNVCBOLYSA-N 1 2 352.482 4.217 20 30 FIEDLO Cc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C)[nH+]1 ZINC000421061982 1095288302 /nfs/dbraw/zinc/28/83/02/1095288302.db2.gz MCDPXRPMTFIBJI-CYBMUJFWSA-N 1 2 354.479 4.272 20 30 FIEDLO Cc1ccccc1[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000329881050 1095303257 /nfs/dbraw/zinc/30/32/57/1095303257.db2.gz AJRFKNNGYSNXFV-PWIZWCRZSA-N 1 2 352.482 4.140 20 30 FIEDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2cccc(F)c2o1 ZINC000329912445 1095313881 /nfs/dbraw/zinc/31/38/81/1095313881.db2.gz BGSAPUOKQXMUET-GRDNDAEWSA-N 1 2 370.428 4.327 20 30 FIEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000330009281 1095347992 /nfs/dbraw/zinc/34/79/92/1095347992.db2.gz GBJZGNDHNHNEBW-MCYKXBRJSA-N 1 2 370.472 4.155 20 30 FIEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C[C@H]1n1cc[nH+]c1 ZINC000330009281 1095348008 /nfs/dbraw/zinc/34/80/08/1095348008.db2.gz GBJZGNDHNHNEBW-MCYKXBRJSA-N 1 2 370.472 4.155 20 30 FIEDLO CN(c1ccccc1NC(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000330036887 1095360579 /nfs/dbraw/zinc/36/05/79/1095360579.db2.gz YQTSWXMJMSYUNQ-UHFFFAOYSA-N 1 2 367.497 4.124 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330119739 1095386411 /nfs/dbraw/zinc/38/64/11/1095386411.db2.gz IMBJCTDFTXUBFT-HOIFWPIMSA-N 1 2 374.525 4.058 20 30 FIEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330119739 1095386432 /nfs/dbraw/zinc/38/64/32/1095386432.db2.gz IMBJCTDFTXUBFT-HOIFWPIMSA-N 1 2 374.525 4.058 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000330229115 1095424780 /nfs/dbraw/zinc/42/47/80/1095424780.db2.gz CUJPLFANECMDQJ-IRXDYDNUSA-N 1 2 350.466 4.164 20 30 FIEDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540714 1095566476 /nfs/dbraw/zinc/56/64/76/1095566476.db2.gz OSSGWOSCISHZPL-UHFFFAOYSA-N 1 2 360.457 4.449 20 30 FIEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540714 1095566485 /nfs/dbraw/zinc/56/64/85/1095566485.db2.gz OSSGWOSCISHZPL-UHFFFAOYSA-N 1 2 360.457 4.449 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272614037 1096196839 /nfs/dbraw/zinc/19/68/39/1096196839.db2.gz SUAYTBLKEVHZCM-LLVKDONJSA-N 1 2 373.806 4.311 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OC(F)(F)F)cc1 ZINC000162259506 1099677594 /nfs/dbraw/zinc/67/75/94/1099677594.db2.gz PKXQAOOVSUMMOQ-UHFFFAOYSA-N 1 2 351.328 4.275 20 30 FIEDLO N#Cc1c(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cn2ccccc12 ZINC000192461778 1099770506 /nfs/dbraw/zinc/77/05/06/1099770506.db2.gz DLZGFUXGHYJCCN-UHFFFAOYSA-N 1 2 361.420 4.045 20 30 FIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455713052 1099969603 /nfs/dbraw/zinc/96/96/03/1099969603.db2.gz BJURJPMTLOFMKO-UHFFFAOYSA-N 1 2 373.888 4.109 20 30 FIEDLO CCCC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000459396623 1100120544 /nfs/dbraw/zinc/12/05/44/1100120544.db2.gz QOQHEIYLPPTHFA-IBGZPJMESA-N 1 2 353.422 4.496 20 30 FIEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000518162802 1100951455 /nfs/dbraw/zinc/95/14/55/1100951455.db2.gz JQFUMCLTXDVKTM-NRFANRHFSA-N 1 2 354.881 4.198 20 30 FIEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000518588890 1101324175 /nfs/dbraw/zinc/32/41/75/1101324175.db2.gz DFYONDICNOFUCQ-GOSISDBHSA-N 1 2 362.433 4.200 20 30 FIEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000518588890 1101324188 /nfs/dbraw/zinc/32/41/88/1101324188.db2.gz DFYONDICNOFUCQ-GOSISDBHSA-N 1 2 362.433 4.200 20 30 FIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccoc1 ZINC000102408224 1101462968 /nfs/dbraw/zinc/46/29/68/1101462968.db2.gz ODOQTDXWHKOCCD-UHFFFAOYSA-N 1 2 368.481 4.145 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccoc1 ZINC000102408224 1101462977 /nfs/dbraw/zinc/46/29/77/1101462977.db2.gz ODOQTDXWHKOCCD-UHFFFAOYSA-N 1 2 368.481 4.145 20 30 FIEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537294958 1101614744 /nfs/dbraw/zinc/61/47/44/1101614744.db2.gz HLOLPUGNXFVTNR-KUHUBIRLSA-N 1 2 350.853 4.385 20 30 FIEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000506754354 1102016205 /nfs/dbraw/zinc/01/62/05/1102016205.db2.gz ZNAGCHGBVLMBIQ-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000506754354 1102016221 /nfs/dbraw/zinc/01/62/21/1102016221.db2.gz ZNAGCHGBVLMBIQ-UHFFFAOYSA-N 1 2 356.491 4.044 20 30 FIEDLO N#CC(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000191456557 1102206210 /nfs/dbraw/zinc/20/62/10/1102206210.db2.gz PXMOJUCHLIGOCL-HXUWFJFHSA-N 1 2 370.500 4.489 20 30 FIEDLO N#CC(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000191456557 1102206220 /nfs/dbraw/zinc/20/62/20/1102206220.db2.gz PXMOJUCHLIGOCL-HXUWFJFHSA-N 1 2 370.500 4.489 20 30 FIEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000484363386 1102350960 /nfs/dbraw/zinc/35/09/60/1102350960.db2.gz VFAUMXIMZYBSPT-AWEZNQCLSA-N 1 2 373.806 4.061 20 30 FIEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000484363386 1102350969 /nfs/dbraw/zinc/35/09/69/1102350969.db2.gz VFAUMXIMZYBSPT-AWEZNQCLSA-N 1 2 373.806 4.061 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000537650068 1102696506 /nfs/dbraw/zinc/69/65/06/1102696506.db2.gz AUWNBKKGELEZAB-QRWLVFNGSA-N 1 2 359.491 4.284 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000537650068 1102696511 /nfs/dbraw/zinc/69/65/11/1102696511.db2.gz AUWNBKKGELEZAB-QRWLVFNGSA-N 1 2 359.491 4.284 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)c1 ZINC000104963177 1102709028 /nfs/dbraw/zinc/70/90/28/1102709028.db2.gz DOYSQEBWNUDYJT-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000051372821 1102935047 /nfs/dbraw/zinc/93/50/47/1102935047.db2.gz UKEKXORPQSZXDS-IBGZPJMESA-N 1 2 351.494 4.223 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000532712471 1103040089 /nfs/dbraw/zinc/04/00/89/1103040089.db2.gz RGOAIXAZMBAOMV-OAQYLSRUSA-N 1 2 358.445 4.205 20 30 FIEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000532712471 1103040106 /nfs/dbraw/zinc/04/01/06/1103040106.db2.gz RGOAIXAZMBAOMV-OAQYLSRUSA-N 1 2 358.445 4.205 20 30 FIEDLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507278231 1103264108 /nfs/dbraw/zinc/26/41/08/1103264108.db2.gz LCQQVGFCTHBSCO-OAHLLOKOSA-N 1 2 370.294 4.204 20 30 FIEDLO COc1cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)ccc1OC(F)F ZINC000141217723 1104137549 /nfs/dbraw/zinc/13/75/49/1104137549.db2.gz CDDNMKMJSQHABH-UHFFFAOYSA-N 1 2 371.387 4.053 20 30 FIEDLO COc1cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)ccc1OC(F)F ZINC000141217723 1104137559 /nfs/dbraw/zinc/13/75/59/1104137559.db2.gz CDDNMKMJSQHABH-UHFFFAOYSA-N 1 2 371.387 4.053 20 30 FIEDLO CCC[N@H+](CC#Cc1ccccc1Cl)CC(=O)Nc1ccccc1OC ZINC000441169275 1104179734 /nfs/dbraw/zinc/17/97/34/1104179734.db2.gz JURKNGPKQWXLSH-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO CCC[N@@H+](CC#Cc1ccccc1Cl)CC(=O)Nc1ccccc1OC ZINC000441169275 1104179738 /nfs/dbraw/zinc/17/97/38/1104179738.db2.gz JURKNGPKQWXLSH-UHFFFAOYSA-N 1 2 370.880 4.051 20 30 FIEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328712368 1104543135 /nfs/dbraw/zinc/54/31/35/1104543135.db2.gz NJUVVLSUEIYPCU-GOEBONIOSA-N 1 2 358.511 4.054 20 30 FIEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000473977315 1104671588 /nfs/dbraw/zinc/67/15/88/1104671588.db2.gz VQSABZALKOUREI-SFTDATJTSA-N 1 2 371.444 4.114 20 30 FIEDLO O=C1/C(=C/c2cccc3nccn32)CCC/C1=C\c1cccc2[nH+]ccn21 ZINC000178941070 1104672908 /nfs/dbraw/zinc/67/29/08/1104672908.db2.gz HBSUTVRWEVGVEX-YXLFCKQPSA-N 1 2 354.413 4.202 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000441490465 1104911522 /nfs/dbraw/zinc/91/15/22/1104911522.db2.gz WHPLORLWJHKTQX-OAQYLSRUSA-N 1 2 373.422 4.244 20 30 FIEDLO CCCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000520555223 1104987664 /nfs/dbraw/zinc/98/76/64/1104987664.db2.gz YTADAWKXFPHDBI-KRWDZBQOSA-N 1 2 351.288 4.102 20 30 FIEDLO CCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000520555223 1104987667 /nfs/dbraw/zinc/98/76/67/1104987667.db2.gz YTADAWKXFPHDBI-KRWDZBQOSA-N 1 2 351.288 4.102 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 ZINC000487405031 1105295163 /nfs/dbraw/zinc/29/51/63/1105295163.db2.gz MCDGRGMAHSCTTP-MSOLQXFVSA-N 1 2 364.493 4.189 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000487405031 1105295168 /nfs/dbraw/zinc/29/51/68/1105295168.db2.gz MCDGRGMAHSCTTP-MSOLQXFVSA-N 1 2 364.493 4.189 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c1C#N ZINC000530394275 1106997541 /nfs/dbraw/zinc/99/75/41/1106997541.db2.gz XWCSOUOZYDYVTO-LBPRGKRZSA-N 1 2 352.365 4.081 20 30 FIEDLO COc1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1C#N ZINC000530668002 1107224649 /nfs/dbraw/zinc/22/46/49/1107224649.db2.gz HBUYYKBCBLSHBE-UHFFFAOYSA-N 1 2 358.445 4.379 20 30 FIEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C)o1 ZINC000469992124 1109350727 /nfs/dbraw/zinc/35/07/27/1109350727.db2.gz OVXLIKAASKOFIU-UHFFFAOYSA-N 1 2 351.368 4.107 20 30 FIEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C)o1 ZINC000469992124 1109350731 /nfs/dbraw/zinc/35/07/31/1109350731.db2.gz OVXLIKAASKOFIU-UHFFFAOYSA-N 1 2 351.368 4.107 20 30 FIEDLO C=CCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000526083344 1109615563 /nfs/dbraw/zinc/61/55/63/1109615563.db2.gz KLCDJYJFFDEWPO-UHFFFAOYSA-N 1 2 362.433 4.028 20 30 FIEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3ccc(C(C)C)cc31)CCC2 ZINC000447680264 1109617941 /nfs/dbraw/zinc/61/79/41/1109617941.db2.gz QKFCPOPPMTVMBQ-KRWDZBQOSA-N 1 2 359.477 4.146 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C2 ZINC000527007316 1109665113 /nfs/dbraw/zinc/66/51/13/1109665113.db2.gz WKXSCHQWBCDZDZ-KKWNJKKUSA-N 1 2 370.541 4.253 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)CC2 ZINC000527007316 1109665115 /nfs/dbraw/zinc/66/51/15/1109665115.db2.gz WKXSCHQWBCDZDZ-KKWNJKKUSA-N 1 2 370.541 4.253 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(C(=O)OC)cs2)C(C)(C)C)cc1 ZINC000450494861 1110305967 /nfs/dbraw/zinc/30/59/67/1110305967.db2.gz POWZFCHIHAOQLT-UHFFFAOYSA-N 1 2 374.506 4.295 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2nc(C(=O)OC)cs2)C(C)(C)C)cc1 ZINC000450494861 1110305969 /nfs/dbraw/zinc/30/59/69/1110305969.db2.gz POWZFCHIHAOQLT-UHFFFAOYSA-N 1 2 374.506 4.295 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311026 1112296899 /nfs/dbraw/zinc/29/68/99/1112296899.db2.gz QRKSRFMMGURYNF-QFBILLFUSA-N 1 2 367.518 4.466 20 30 FIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311026 1112296902 /nfs/dbraw/zinc/29/69/02/1112296902.db2.gz QRKSRFMMGURYNF-QFBILLFUSA-N 1 2 367.518 4.466 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000554933164 1112569915 /nfs/dbraw/zinc/56/99/15/1112569915.db2.gz PZTGCLGKQGRLIS-KSSFIOAISA-N 1 2 365.868 4.352 20 30 FIEDLO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)ncc1Br ZINC000600130771 1112902952 /nfs/dbraw/zinc/90/29/52/1112902952.db2.gz JGMHELAPRJIBFH-UHFFFAOYSA-N 1 2 368.278 4.314 20 30 FIEDLO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ncc1Br ZINC000600130771 1112902954 /nfs/dbraw/zinc/90/29/54/1112902954.db2.gz JGMHELAPRJIBFH-UHFFFAOYSA-N 1 2 368.278 4.314 20 30 FIEDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000160533172 1113402782 /nfs/dbraw/zinc/40/27/82/1113402782.db2.gz NUYJNASUVWGIEP-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000160533172 1113402785 /nfs/dbraw/zinc/40/27/85/1113402785.db2.gz NUYJNASUVWGIEP-UHFFFAOYSA-N 1 2 366.223 4.075 20 30 FIEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1C#N ZINC000488131037 1113859908 /nfs/dbraw/zinc/85/99/08/1113859908.db2.gz GLLLXTKKNPWKSJ-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1C#N ZINC000488131037 1113859913 /nfs/dbraw/zinc/85/99/13/1113859913.db2.gz GLLLXTKKNPWKSJ-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccc1C#N ZINC000488131038 1113859995 /nfs/dbraw/zinc/85/99/95/1113859995.db2.gz GLLLXTKKNPWKSJ-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccc1C#N ZINC000488131038 1113860002 /nfs/dbraw/zinc/86/00/02/1113860002.db2.gz GLLLXTKKNPWKSJ-LJQANCHMSA-N 1 2 358.388 4.042 20 30 FIEDLO C#CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1Br)c1ccccc1 ZINC000760635090 1114086773 /nfs/dbraw/zinc/08/67/73/1114086773.db2.gz YYRWHBDPRBPAMB-OAHLLOKOSA-N 1 2 360.251 4.018 20 30 FIEDLO C=CCC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000571754604 1114498557 /nfs/dbraw/zinc/49/85/57/1114498557.db2.gz RIPSDTDXNIYEDO-UHFFFAOYSA-N 1 2 370.541 4.245 20 30 FIEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000591760821 1115126339 /nfs/dbraw/zinc/12/63/39/1115126339.db2.gz ZURVOKJPNHBAFD-FZMZJTMJSA-N 1 2 374.204 4.476 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4cccc(Cl)c4)CCC3)o2)c1 ZINC000592183946 1115206642 /nfs/dbraw/zinc/20/66/42/1115206642.db2.gz LXRCLZAIHCAIRE-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO COc1ccc(Br)cc1C1([NH2+]Cc2ccccc2C#N)CC1 ZINC000592137586 1115208855 /nfs/dbraw/zinc/20/88/55/1115208855.db2.gz IXQBNFVRIBYIML-UHFFFAOYSA-N 1 2 357.251 4.108 20 30 FIEDLO CCCCn1c(SCCc2ccc(C#N)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000594880947 1115484779 /nfs/dbraw/zinc/48/47/79/1115484779.db2.gz HXVPLDPOACKBHA-GOSISDBHSA-N 1 2 371.554 4.297 20 30 FIEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594929987 1115491416 /nfs/dbraw/zinc/49/14/16/1115491416.db2.gz QZIPPQIIYFLSCF-OAHLLOKOSA-N 1 2 374.444 4.151 20 30 FIEDLO COc1ccc(C[N@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C#N ZINC000595514971 1115539311 /nfs/dbraw/zinc/53/93/11/1115539311.db2.gz LJVZNGJVHVRLPX-GFCCVEGCSA-N 1 2 354.841 4.290 20 30 FIEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C#N ZINC000595514971 1115539313 /nfs/dbraw/zinc/53/93/13/1115539313.db2.gz LJVZNGJVHVRLPX-GFCCVEGCSA-N 1 2 354.841 4.290 20 30 FIEDLO CC(C)c1ccc2c(c1)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000595659221 1115555432 /nfs/dbraw/zinc/55/54/32/1115555432.db2.gz YAULFQJDISIFRF-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO CC(C)c1ccc2c(c1)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000595659221 1115555435 /nfs/dbraw/zinc/55/54/35/1115555435.db2.gz YAULFQJDISIFRF-UHFFFAOYSA-N 1 2 358.445 4.290 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595839532 1115564046 /nfs/dbraw/zinc/56/40/46/1115564046.db2.gz GWRGGCSQPOHKKK-QHCPKHFHSA-N 1 2 372.472 4.283 20 30 FIEDLO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595839532 1115564049 /nfs/dbraw/zinc/56/40/49/1115564049.db2.gz GWRGGCSQPOHKKK-QHCPKHFHSA-N 1 2 372.472 4.283 20 30 FIEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc3cc(C(F)(F)F)ccc3o1)C2 ZINC000599676846 1115835557 /nfs/dbraw/zinc/83/55/57/1115835557.db2.gz GIPOQFPQBBHVDF-UHFFFAOYSA-N 1 2 371.362 4.471 20 30 FIEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc3cc(C(F)(F)F)ccc3o1)C2 ZINC000599676846 1115835562 /nfs/dbraw/zinc/83/55/62/1115835562.db2.gz GIPOQFPQBBHVDF-UHFFFAOYSA-N 1 2 371.362 4.471 20 30 FIEDLO COc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F ZINC000669707633 1115839073 /nfs/dbraw/zinc/83/90/73/1115839073.db2.gz WSJRNNTYNPCXNU-GHMZBOCLSA-N 1 2 359.285 4.397 20 30 FIEDLO CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000604527950 1115868934 /nfs/dbraw/zinc/86/89/34/1115868934.db2.gz DLCKVFRBUNQUBD-CQSZACIVSA-N 1 2 370.522 4.386 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063299810 1116037218 /nfs/dbraw/zinc/03/72/18/1116037218.db2.gz DHIADFDTIQIQSD-UHFFFAOYSA-N 1 2 373.500 4.046 20 30 FIEDLO C=CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063299810 1116037220 /nfs/dbraw/zinc/03/72/20/1116037220.db2.gz DHIADFDTIQIQSD-UHFFFAOYSA-N 1 2 373.500 4.046 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300893 1116038054 /nfs/dbraw/zinc/03/80/54/1116038054.db2.gz XJPAFYJSHPWEEL-HSZRJFAPSA-N 1 2 373.500 4.082 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300893 1116038056 /nfs/dbraw/zinc/03/80/56/1116038056.db2.gz XJPAFYJSHPWEEL-HSZRJFAPSA-N 1 2 373.500 4.082 20 30 FIEDLO C=C[C@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000534678133 1116226365 /nfs/dbraw/zinc/22/63/65/1116226365.db2.gz LYLFNQIFBADZCR-RBUKOAKNSA-N 1 2 364.489 4.378 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539428850 1116335573 /nfs/dbraw/zinc/33/55/73/1116335573.db2.gz KQUJESWDKSEDSD-INIZCTEOSA-N 1 2 350.466 4.468 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)c1 ZINC000463073473 1117957009 /nfs/dbraw/zinc/95/70/09/1117957009.db2.gz WPMOKLBGWPPBHS-UHFFFAOYSA-N 1 2 361.367 4.015 20 30 FIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c1C ZINC000540324404 1117992527 /nfs/dbraw/zinc/99/25/27/1117992527.db2.gz AYEJRMFWVZYXMW-MRXNPFEDSA-N 1 2 371.431 4.179 20 30 FIEDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000540328907 1117994483 /nfs/dbraw/zinc/99/44/83/1117994483.db2.gz VWTNMCYXWFFRIK-OAHLLOKOSA-N 1 2 362.433 4.246 20 30 FIEDLO N#Cc1cccc(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000540431467 1118061157 /nfs/dbraw/zinc/06/11/57/1118061157.db2.gz CQBDHJRVJDKUPP-UHFFFAOYSA-N 1 2 360.244 4.082 20 30 FIEDLO COc1ccc([C@H]([NH2+]CC2(C#N)CC2)c2ccccc2)cc1Br ZINC000540550350 1118121832 /nfs/dbraw/zinc/12/18/32/1118121832.db2.gz VYOZLEIEDAJWNX-GOSISDBHSA-N 1 2 371.278 4.440 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000460329446 1118337109 /nfs/dbraw/zinc/33/71/09/1118337109.db2.gz CDAARQNATUNHEV-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO COc1cccc(Cn2c(NCc3cc(C#N)cs3)[nH+]c3ccccc32)c1 ZINC000460664104 1118918768 /nfs/dbraw/zinc/91/87/68/1118918768.db2.gz OXGAFTYFOAOMOJ-UHFFFAOYSA-N 1 2 374.469 4.060 20 30 FIEDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790171 1119189477 /nfs/dbraw/zinc/18/94/77/1119189477.db2.gz OYDVUMICRNTTAP-RBUKOAKNSA-N 1 2 365.433 4.265 20 30 FIEDLO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492790171 1119189482 /nfs/dbraw/zinc/18/94/82/1119189482.db2.gz OYDVUMICRNTTAP-RBUKOAKNSA-N 1 2 365.433 4.265 20 30 FIEDLO CCCCCCCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000914452214 1120115632 /nfs/dbraw/zinc/11/56/32/1120115632.db2.gz KUYRWYKUCPCTNS-UHFFFAOYSA-N 1 2 373.541 4.153 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000761761873 1120354714 /nfs/dbraw/zinc/35/47/14/1120354714.db2.gz QIVDWVBJGVRUTF-SFHVURJKSA-N 1 2 362.351 4.030 20 30 FIEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)c1 ZINC000761761873 1120354718 /nfs/dbraw/zinc/35/47/18/1120354718.db2.gz QIVDWVBJGVRUTF-SFHVURJKSA-N 1 2 362.351 4.030 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000914567039 1120372055 /nfs/dbraw/zinc/37/20/55/1120372055.db2.gz SRQQGVFDDIGWKS-UHFFFAOYSA-N 1 2 360.502 4.484 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000914567039 1120372059 /nfs/dbraw/zinc/37/20/59/1120372059.db2.gz SRQQGVFDDIGWKS-UHFFFAOYSA-N 1 2 360.502 4.484 20 30 FIEDLO Clc1ccc(CN[NH+]=Cc2ccc(N3CCOCC3)s2)c(Cl)c1 ZINC000914696392 1120474865 /nfs/dbraw/zinc/47/48/65/1120474865.db2.gz CFIPMZUGZLBBSP-UHFFFAOYSA-N 1 2 370.305 4.015 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208125 1120873816 /nfs/dbraw/zinc/87/38/16/1120873816.db2.gz CMSYYYHYWYFSOS-HNNXBMFYSA-N 1 2 360.527 4.209 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208125 1120873822 /nfs/dbraw/zinc/87/38/22/1120873822.db2.gz CMSYYYHYWYFSOS-HNNXBMFYSA-N 1 2 360.527 4.209 20 30 FIEDLO N#C[C@@H](C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041396 1121097103 /nfs/dbraw/zinc/09/71/03/1121097103.db2.gz MUVJQRBVZGRXND-DENIHFKCSA-N 1 2 355.441 4.076 20 30 FIEDLO N#C[C@@H](C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2ccccc2n1 ZINC000763041396 1121097108 /nfs/dbraw/zinc/09/71/08/1121097108.db2.gz MUVJQRBVZGRXND-DENIHFKCSA-N 1 2 355.441 4.076 20 30 FIEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc(Br)ccc3F)n21 ZINC000763121681 1121145665 /nfs/dbraw/zinc/14/56/65/1121145665.db2.gz IHRSRDRYPBXYIY-VURMDHGXSA-N 1 2 359.198 4.440 20 30 FIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)OCCCn1cc[nH+]c1 ZINC000763286821 1121317733 /nfs/dbraw/zinc/31/77/33/1121317733.db2.gz FBNYJNMHFRHOIW-UHFFFAOYSA-N 1 2 363.442 4.153 20 30 FIEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000915964520 1121365667 /nfs/dbraw/zinc/36/56/67/1121365667.db2.gz BETQTTZIUCMHQT-UHFFFAOYSA-N 1 2 364.424 4.047 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000067445485 1122160872 /nfs/dbraw/zinc/16/08/72/1122160872.db2.gz BVGMUGUDVVJOGD-SFHVURJKSA-N 1 2 355.507 4.079 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000067445485 1122160878 /nfs/dbraw/zinc/16/08/78/1122160878.db2.gz BVGMUGUDVVJOGD-SFHVURJKSA-N 1 2 355.507 4.079 20 30 FIEDLO N#CC1(c2cc[nH+]c(NCc3cc(Cl)c4cccnc4c3O)c2)CC1 ZINC001168523074 1122228507 /nfs/dbraw/zinc/22/85/07/1122228507.db2.gz YWHKGXDPURNIIA-UHFFFAOYSA-N 1 2 350.809 4.156 20 30 FIEDLO Cn1c2ccc(Cl)cc2n(C[N@H+](C)Cc2cccc(C#N)c2)c1=S ZINC000917428351 1122310620 /nfs/dbraw/zinc/31/06/20/1122310620.db2.gz GQCKALKKEADUIS-UHFFFAOYSA-N 1 2 356.882 4.324 20 30 FIEDLO Cn1c2ccc(Cl)cc2n(C[N@@H+](C)Cc2cccc(C#N)c2)c1=S ZINC000917428351 1122310623 /nfs/dbraw/zinc/31/06/23/1122310623.db2.gz GQCKALKKEADUIS-UHFFFAOYSA-N 1 2 356.882 4.324 20 30 FIEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000917456009 1122320389 /nfs/dbraw/zinc/32/03/89/1122320389.db2.gz GFNIJVQYUXVUPG-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000917456009 1122320395 /nfs/dbraw/zinc/32/03/95/1122320395.db2.gz GFNIJVQYUXVUPG-UHFFFAOYSA-N 1 2 357.527 4.130 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130559762 1122870818 /nfs/dbraw/zinc/87/08/18/1122870818.db2.gz USGCJLLEWQRWGK-KRWDZBQOSA-N 1 2 370.522 4.080 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130559762 1122870820 /nfs/dbraw/zinc/87/08/20/1122870820.db2.gz USGCJLLEWQRWGK-KRWDZBQOSA-N 1 2 370.522 4.080 20 30 FIEDLO Cc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000556599097 1122992620 /nfs/dbraw/zinc/99/26/20/1122992620.db2.gz WICNTCXCRTULJT-VIFPVBQESA-N 1 2 360.093 4.254 20 30 FIEDLO Cc1c(Br)cc(C[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000556599097 1122992623 /nfs/dbraw/zinc/99/26/23/1122992623.db2.gz WICNTCXCRTULJT-VIFPVBQESA-N 1 2 360.093 4.254 20 30 FIEDLO Cc1c(Br)cc(C[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000556599096 1122992794 /nfs/dbraw/zinc/99/27/94/1122992794.db2.gz WICNTCXCRTULJT-SECBINFHSA-N 1 2 360.093 4.254 20 30 FIEDLO Cc1c(Br)cc(C[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000556599096 1122992795 /nfs/dbraw/zinc/99/27/95/1122992795.db2.gz WICNTCXCRTULJT-SECBINFHSA-N 1 2 360.093 4.254 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000556623129 1123009534 /nfs/dbraw/zinc/00/95/34/1123009534.db2.gz UCNRSBGMTULDOG-CXAGYDPISA-N 1 2 364.474 4.001 20 30 FIEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2o1 ZINC000133263246 1123460505 /nfs/dbraw/zinc/46/05/05/1123460505.db2.gz FHIDDMBOXFTZNF-UHFFFAOYSA-N 1 2 360.335 4.210 20 30 FIEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2o1 ZINC000133263246 1123460510 /nfs/dbraw/zinc/46/05/10/1123460510.db2.gz FHIDDMBOXFTZNF-UHFFFAOYSA-N 1 2 360.335 4.210 20 30 FIEDLO CC(=[NH+]Nc1cccc(Cl)c1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000921137837 1123569260 /nfs/dbraw/zinc/56/92/60/1123569260.db2.gz NXLRAHQQVZKEDM-UHFFFAOYSA-N 1 2 365.811 4.291 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000609384874 1123698889 /nfs/dbraw/zinc/69/88/89/1123698889.db2.gz MWEKFSPDFFNJIT-CQSZACIVSA-N 1 2 359.520 4.213 20 30 FIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000609384874 1123698892 /nfs/dbraw/zinc/69/88/92/1123698892.db2.gz MWEKFSPDFFNJIT-CQSZACIVSA-N 1 2 359.520 4.213 20 30 FIEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000609799440 1123838778 /nfs/dbraw/zinc/83/87/78/1123838778.db2.gz GLXJOAGYTIBBFS-MRXNPFEDSA-N 1 2 372.365 4.251 20 30 FIEDLO N#Cc1ccc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000301547300 1124240620 /nfs/dbraw/zinc/24/06/20/1124240620.db2.gz XELBUFAXBLIRSB-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000301635550 1124247357 /nfs/dbraw/zinc/24/73/57/1124247357.db2.gz DYQNNVPILMVJBN-AWEZNQCLSA-N 1 2 351.410 4.292 20 30 FIEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000301635550 1124247363 /nfs/dbraw/zinc/24/73/63/1124247363.db2.gz DYQNNVPILMVJBN-AWEZNQCLSA-N 1 2 351.410 4.292 20 30 FIEDLO C[NH+](C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1c(F)cccc1F ZINC000301958041 1124272487 /nfs/dbraw/zinc/27/24/87/1124272487.db2.gz AWAJVAHICBLFCO-GOSISDBHSA-N 1 2 352.388 4.099 20 30 FIEDLO CC(=O)c1ccc(C#N)cc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000302085058 1124282966 /nfs/dbraw/zinc/28/29/66/1124282966.db2.gz DOGRZMIUALFGRU-UHFFFAOYSA-N 1 2 369.415 4.116 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC000246064703 1124332631 /nfs/dbraw/zinc/33/26/31/1124332631.db2.gz BOKVEPNFJDLJPD-TZIWHRDSSA-N 1 2 367.518 4.098 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c2ccccc21 ZINC000246064703 1124332634 /nfs/dbraw/zinc/33/26/34/1124332634.db2.gz BOKVEPNFJDLJPD-TZIWHRDSSA-N 1 2 367.518 4.098 20 30 FIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCCc3cccnc32)[nH+]1 ZINC001168655806 1124439788 /nfs/dbraw/zinc/43/97/88/1124439788.db2.gz QRVXYXPVRUTLCX-QKKATZIPSA-N 1 2 370.522 4.156 20 30 FIEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000618741117 1125258936 /nfs/dbraw/zinc/25/89/36/1125258936.db2.gz AFWXCHPTJJGGGD-HXUWFJFHSA-N 1 2 361.470 4.371 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000096982249 222148110 /nfs/dbraw/zinc/14/81/10/222148110.db2.gz VQDWQJQJEYJSQZ-HNNXBMFYSA-N 1 2 359.520 4.246 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000096982249 222148113 /nfs/dbraw/zinc/14/81/13/222148113.db2.gz VQDWQJQJEYJSQZ-HNNXBMFYSA-N 1 2 359.520 4.246 20 30 FIEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1cccc(Cl)c1 ZINC000602644596 568003736 /nfs/dbraw/zinc/00/37/36/568003736.db2.gz ZKUOPXNQYGIYIC-UHFFFAOYSA-N 1 2 374.897 4.265 20 30 FIEDLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCC[C@@H]1C#N ZINC000602992964 568040335 /nfs/dbraw/zinc/04/03/35/568040335.db2.gz LNZLTKIAOBDIEY-APWZRJJASA-N 1 2 363.465 4.042 20 30 FIEDLO CCCCn1c(S[C@H](C#N)Cc2ccccc2)nnc1[C@@H](CC)[NH+](C)C ZINC000604056235 568207420 /nfs/dbraw/zinc/20/74/20/568207420.db2.gz VJUVBZGGODEQRW-ZWKOTPCHSA-N 1 2 371.554 4.318 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1Cl ZINC000569442486 568402411 /nfs/dbraw/zinc/40/24/11/568402411.db2.gz QSRNFEFRYZQALK-ZJUUUORDSA-N 1 2 365.662 4.176 20 30 FIEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4c(F)cc(C#N)cc4F)C3)[nH+]c2c1 ZINC000570014808 568440755 /nfs/dbraw/zinc/44/07/55/568440755.db2.gz JTLOTZJJMZUGBQ-CQSZACIVSA-N 1 2 352.388 4.405 20 30 FIEDLO COc1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1C#N ZINC000570014958 568440775 /nfs/dbraw/zinc/44/07/75/568440775.db2.gz SFMDJPRQBOCWEX-JOCHJYFZSA-N 1 2 371.440 4.036 20 30 FIEDLO Cc1cccc2[nH+]cc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)n21 ZINC000570763752 568520498 /nfs/dbraw/zinc/52/04/98/568520498.db2.gz JQXIAQAGDHGNDE-UHFFFAOYSA-N 1 2 355.401 4.314 20 30 FIEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182029385 568559907 /nfs/dbraw/zinc/55/99/07/568559907.db2.gz QTYNGTCPVUTCFJ-UHFFFAOYSA-N 1 2 374.444 4.133 20 30 FIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619431986 1125593659 /nfs/dbraw/zinc/59/36/59/1125593659.db2.gz LKHJGPSYVFWZTG-OAQYLSRUSA-N 1 2 364.880 4.204 20 30 FIEDLO CC[C@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510085393 1079920213 /nfs/dbraw/zinc/92/02/13/1079920213.db2.gz ZXQOGUWJVFSRLB-JOCHJYFZSA-N 1 2 367.537 4.199 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)[nH+]c12 ZINC000608847619 1081091178 /nfs/dbraw/zinc/09/11/78/1081091178.db2.gz TXGJFMCMTWRPAU-UHFFFAOYSA-N 1 2 372.453 4.424 20 30 FIEDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000177242653 1081198868 /nfs/dbraw/zinc/19/88/68/1081198868.db2.gz XJCQKCQUNFUTPW-GOSISDBHSA-N 1 2 369.490 4.021 20 30 FIEDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000177242653 1081198872 /nfs/dbraw/zinc/19/88/72/1081198872.db2.gz XJCQKCQUNFUTPW-GOSISDBHSA-N 1 2 369.490 4.021 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(-c2ccccc2)c1C ZINC000580740008 1082115104 /nfs/dbraw/zinc/11/51/04/1082115104.db2.gz BFDJSSJHQYGJEU-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(-c2ccccc2)c1C ZINC000580740008 1082115106 /nfs/dbraw/zinc/11/51/06/1082115106.db2.gz BFDJSSJHQYGJEU-UHFFFAOYSA-N 1 2 365.477 4.153 20 30 FIEDLO C#Cc1ccc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)c(Cl)c1 ZINC000933361598 1082777106 /nfs/dbraw/zinc/77/71/06/1082777106.db2.gz INSFXDSDOWZSOF-UHFFFAOYSA-N 1 2 358.873 4.024 20 30 FIEDLO COc1cccc(C[N@H+](C)CC(=O)Nc2nc3c(cccc3OC)s2)c1 ZINC000051325083 1083086079 /nfs/dbraw/zinc/08/60/79/1083086079.db2.gz GQKDATZUALFBFO-UHFFFAOYSA-N 1 2 371.462 4.034 20 30 FIEDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2nc3c(cccc3OC)s2)c1 ZINC000051325083 1083086084 /nfs/dbraw/zinc/08/60/84/1083086084.db2.gz GQKDATZUALFBFO-UHFFFAOYSA-N 1 2 371.462 4.034 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000430721271 1083131972 /nfs/dbraw/zinc/13/19/72/1083131972.db2.gz BTZGRVLSBGFUDE-NHCUHLMSSA-N 1 2 372.472 4.153 20 30 FIEDLO COc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000430721271 1083131977 /nfs/dbraw/zinc/13/19/77/1083131977.db2.gz BTZGRVLSBGFUDE-NHCUHLMSSA-N 1 2 372.472 4.153 20 30 FIEDLO N#Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F ZINC000610719329 1083354324 /nfs/dbraw/zinc/35/43/24/1083354324.db2.gz PWHCNBCPXFXZCY-VXGBXAGGSA-N 1 2 354.269 4.260 20 30 FIEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000092595005 1083443983 /nfs/dbraw/zinc/44/39/83/1083443983.db2.gz URQPJVKZUGRAKC-LJQANCHMSA-N 1 2 359.491 4.285 20 30 FIEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1OC ZINC000092595005 1083443986 /nfs/dbraw/zinc/44/39/86/1083443986.db2.gz URQPJVKZUGRAKC-LJQANCHMSA-N 1 2 359.491 4.285 20 30 FIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848749 1083790862 /nfs/dbraw/zinc/79/08/62/1083790862.db2.gz VMJANHZBCXATNL-HRAATJIYSA-N 1 2 368.550 4.056 20 30 FIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)s1 ZINC000535848749 1083790869 /nfs/dbraw/zinc/79/08/69/1083790869.db2.gz VMJANHZBCXATNL-HRAATJIYSA-N 1 2 368.550 4.056 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000365266277 1083859511 /nfs/dbraw/zinc/85/95/11/1083859511.db2.gz KLKJWXMVKIGAFB-NSHDSACASA-N 1 2 356.788 4.252 20 30 FIEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ccc1F ZINC000120074249 1084885545 /nfs/dbraw/zinc/88/55/45/1084885545.db2.gz ZCTLZCBTJBWGFY-KBPBESRZSA-N 1 2 350.397 4.468 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001299759959 1085082653 /nfs/dbraw/zinc/08/26/53/1085082653.db2.gz SZHFJCXRHOHICU-XKGZKEIXSA-N 1 2 362.477 4.144 20 30 FIEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000657467916 1085145900 /nfs/dbraw/zinc/14/59/00/1085145900.db2.gz ZXVUYMNMQVJLIB-UHFFFAOYSA-N 1 2 373.247 4.026 20 30 FIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075766932 1085546373 /nfs/dbraw/zinc/54/63/73/1085546373.db2.gz KKUQHBBYDLNWPW-CYBMUJFWSA-N 1 2 367.478 4.129 20 30 FIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075766932 1085546383 /nfs/dbraw/zinc/54/63/83/1085546383.db2.gz KKUQHBBYDLNWPW-CYBMUJFWSA-N 1 2 367.478 4.129 20 30 FIEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661419732 1085564240 /nfs/dbraw/zinc/56/42/40/1085564240.db2.gz PWDRGQSQOBSBNT-WSTZPKSXSA-N 1 2 370.541 4.243 20 30 FIEDLO CC1(C)C[C@H]([N@H+](Cc2nc(C#N)cs2)Cc2ccccc2)C(C)(C)O1 ZINC000583056206 1086107110 /nfs/dbraw/zinc/10/71/10/1086107110.db2.gz DVMAPZFKGMPYIW-KRWDZBQOSA-N 1 2 355.507 4.363 20 30 FIEDLO CC1(C)C[C@H]([N@@H+](Cc2nc(C#N)cs2)Cc2ccccc2)C(C)(C)O1 ZINC000583056206 1086107129 /nfs/dbraw/zinc/10/71/29/1086107129.db2.gz DVMAPZFKGMPYIW-KRWDZBQOSA-N 1 2 355.507 4.363 20 30 FIEDLO C[C@H](Sc1ccccc1)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583317890 1086558767 /nfs/dbraw/zinc/55/87/67/1086558767.db2.gz DFLQOAGGKAXTHG-FXAWDEMLSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@H](Sc1ccccc1)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583317890 1086558775 /nfs/dbraw/zinc/55/87/75/1086558775.db2.gz DFLQOAGGKAXTHG-FXAWDEMLSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@H]1C[C@]1([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000548798932 1086794933 /nfs/dbraw/zinc/79/49/33/1086794933.db2.gz TXTBLYIYDWHGNF-RNODOKPDSA-N 1 2 364.836 4.287 20 30 FIEDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000363651070 1088162607 /nfs/dbraw/zinc/16/26/07/1088162607.db2.gz JXMFEJNLHKQDKL-GJZGRUSLSA-N 1 2 362.433 4.166 20 30 FIEDLO C=CCC[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000435106393 1089290404 /nfs/dbraw/zinc/29/04/04/1089290404.db2.gz AXKFITOOYUNZRW-NRFANRHFSA-N 1 2 360.461 4.379 20 30 FIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000435443562 1089665970 /nfs/dbraw/zinc/66/59/70/1089665970.db2.gz RFCOGJYMQGNFRW-UHFFFAOYSA-N 1 2 360.417 4.092 20 30 FIEDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1C(F)(F)F ZINC000190211369 1090406165 /nfs/dbraw/zinc/40/61/65/1090406165.db2.gz YSOMSBXVLYPLGR-AWEZNQCLSA-N 1 2 364.371 4.019 20 30 FIEDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1C(F)(F)F ZINC000190211369 1090406169 /nfs/dbraw/zinc/40/61/69/1090406169.db2.gz YSOMSBXVLYPLGR-AWEZNQCLSA-N 1 2 364.371 4.019 20 30 FIEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2conc2CC)cc1OC ZINC000628296210 1090713720 /nfs/dbraw/zinc/71/37/20/1090713720.db2.gz ABDRQAWVKXICDJ-UHFFFAOYSA-N 1 2 350.846 4.096 20 30 FIEDLO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2conc2CC)cc1OC ZINC000628296210 1090713727 /nfs/dbraw/zinc/71/37/27/1090713727.db2.gz ABDRQAWVKXICDJ-UHFFFAOYSA-N 1 2 350.846 4.096 20 30 FIEDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000418095101 1091058600 /nfs/dbraw/zinc/05/86/00/1091058600.db2.gz FXWBZZHQOYHYQG-UHFFFAOYSA-N 1 2 359.285 4.388 20 30 FIEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106241605 1091992370 /nfs/dbraw/zinc/99/23/70/1091992370.db2.gz CYGWQUIRTHGATC-RYUDHWBXSA-N 1 2 374.535 4.023 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1cccs1 ZINC000019540420 1092437862 /nfs/dbraw/zinc/43/78/62/1092437862.db2.gz KXLNWRIBGHIVDI-UHFFFAOYSA-N 1 2 350.871 4.037 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1cccs1 ZINC000019540420 1092437870 /nfs/dbraw/zinc/43/78/70/1092437870.db2.gz KXLNWRIBGHIVDI-UHFFFAOYSA-N 1 2 350.871 4.037 20 30 FIEDLO CCCc1c(NCc2c[nH+]c3ccc(C)cn23)cnn1-c1cccc(C#N)c1 ZINC000438906947 1092519898 /nfs/dbraw/zinc/51/98/98/1092519898.db2.gz IOGHTTYFJAAJGD-UHFFFAOYSA-N 1 2 370.460 4.265 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000521718004 1092886823 /nfs/dbraw/zinc/88/68/23/1092886823.db2.gz GTAXZIYRWOJIQD-XMMPIXPASA-N 1 2 373.500 4.122 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000521718004 1092886837 /nfs/dbraw/zinc/88/68/37/1092886837.db2.gz GTAXZIYRWOJIQD-XMMPIXPASA-N 1 2 373.500 4.122 20 30 FIEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1cccc(Br)c1 ZINC000573412367 1092916209 /nfs/dbraw/zinc/91/62/09/1092916209.db2.gz HIXDANWEGXPRFB-UHFFFAOYSA-N 1 2 350.285 4.188 20 30 FIEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(Br)c1 ZINC000573412367 1092916210 /nfs/dbraw/zinc/91/62/10/1092916210.db2.gz HIXDANWEGXPRFB-UHFFFAOYSA-N 1 2 350.285 4.188 20 30 FIEDLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509825794 1093462788 /nfs/dbraw/zinc/46/27/88/1093462788.db2.gz DVTDMHGMGWCMHK-IBGZPJMESA-N 1 2 358.489 4.498 20 30 FIEDLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509825794 1093462793 /nfs/dbraw/zinc/46/27/93/1093462793.db2.gz DVTDMHGMGWCMHK-IBGZPJMESA-N 1 2 358.489 4.498 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433316272 1093575390 /nfs/dbraw/zinc/57/53/90/1093575390.db2.gz HUKLRKQONHOILV-OAHLLOKOSA-N 1 2 373.909 4.318 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c1C ZINC000433316272 1093575395 /nfs/dbraw/zinc/57/53/95/1093575395.db2.gz HUKLRKQONHOILV-OAHLLOKOSA-N 1 2 373.909 4.318 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265469 1093631049 /nfs/dbraw/zinc/63/10/49/1093631049.db2.gz IJXBDVAHYTWZQX-FGZHOGPDSA-N 1 2 360.436 4.283 20 30 FIEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000474265469 1093631055 /nfs/dbraw/zinc/63/10/55/1093631055.db2.gz IJXBDVAHYTWZQX-FGZHOGPDSA-N 1 2 360.436 4.283 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727823362 1094419211 /nfs/dbraw/zinc/41/92/11/1094419211.db2.gz JPICGTZKWASAQP-HNNXBMFYSA-N 1 2 358.511 4.108 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727823362 1094419221 /nfs/dbraw/zinc/41/92/21/1094419221.db2.gz JPICGTZKWASAQP-HNNXBMFYSA-N 1 2 358.511 4.108 20 30 FIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151705635 1094432688 /nfs/dbraw/zinc/43/26/88/1094432688.db2.gz HUAPWCOJKMQHNA-QGZVFWFLSA-N 1 2 372.428 4.057 20 30 FIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000474779273 1094592702 /nfs/dbraw/zinc/59/27/02/1094592702.db2.gz GWUJMFDZOVXROS-UHFFFAOYSA-N 1 2 368.387 4.063 20 30 FIEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccc(Br)cn12 ZINC000513714046 1094694969 /nfs/dbraw/zinc/69/49/69/1094694969.db2.gz XGNHCUHIPWRRJH-UHFFFAOYSA-N 1 2 363.303 4.249 20 30 FIEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccc(Br)cn12 ZINC000513714046 1094694976 /nfs/dbraw/zinc/69/49/76/1094694976.db2.gz XGNHCUHIPWRRJH-UHFFFAOYSA-N 1 2 363.303 4.249 20 30 FIEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC12CCCCC2 ZINC000329013892 1094711447 /nfs/dbraw/zinc/71/14/47/1094711447.db2.gz FOXDSHCWKSZSCA-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC12CCCCC2 ZINC000329013892 1094711464 /nfs/dbraw/zinc/71/14/64/1094711464.db2.gz FOXDSHCWKSZSCA-GOSISDBHSA-N 1 2 371.525 4.147 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329121723 1094746894 /nfs/dbraw/zinc/74/68/94/1094746894.db2.gz WHXLIHQSESHCEH-RCCFBDPRSA-N 1 2 357.498 4.421 20 30 FIEDLO N#CC1(CN2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000501542686 1094767136 /nfs/dbraw/zinc/76/71/36/1094767136.db2.gz VHDAVEMCHIPJFY-NRFANRHFSA-N 1 2 365.908 4.351 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccnc(C4CC4)c3)n2)CC1 ZINC000329330187 1094844594 /nfs/dbraw/zinc/84/45/94/1094844594.db2.gz LNYPXHDASSDHPP-UHFFFAOYSA-N 1 2 356.495 4.284 20 30 FIEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000329482774 1094930613 /nfs/dbraw/zinc/93/06/13/1094930613.db2.gz DXRIXMLKRCKYAB-LBPRGKRZSA-N 1 2 364.852 4.069 20 30 FIEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC(=O)N1 ZINC000329591662 1094988522 /nfs/dbraw/zinc/98/85/22/1094988522.db2.gz NXAPMBGBVGNLIM-XYVMCAHJSA-N 1 2 373.497 4.029 20 30 FIEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC2(CCC2)C1 ZINC000329605002 1094996401 /nfs/dbraw/zinc/99/64/01/1094996401.db2.gz HDCRHHWKPIPAOX-UHFFFAOYSA-N 1 2 350.466 4.308 20 30 FIEDLO CC[N@H+](CC(=O)N[C@H](CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000502034520 1095065279 /nfs/dbraw/zinc/06/52/79/1095065279.db2.gz PWPHAAJTQHWXTE-HXUWFJFHSA-N 1 2 369.896 4.323 20 30 FIEDLO CC[N@@H+](CC(=O)N[C@H](CCC#N)c1ccccc1)Cc1ccccc1Cl ZINC000502034520 1095065303 /nfs/dbraw/zinc/06/53/03/1095065303.db2.gz PWPHAAJTQHWXTE-HXUWFJFHSA-N 1 2 369.896 4.323 20 30 FIEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329676884 1095093923 /nfs/dbraw/zinc/09/39/23/1095093923.db2.gz WIVITOXCOHIQOB-DLBZAZTESA-N 1 2 366.461 4.274 20 30 FIEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329676884 1095093935 /nfs/dbraw/zinc/09/39/35/1095093935.db2.gz WIVITOXCOHIQOB-DLBZAZTESA-N 1 2 366.461 4.274 20 30 FIEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000513732150 1095152097 /nfs/dbraw/zinc/15/20/97/1095152097.db2.gz BMLDLSYPLIRNHZ-MFKMUULPSA-N 1 2 354.294 4.293 20 30 FIEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000513732150 1095152103 /nfs/dbraw/zinc/15/21/03/1095152103.db2.gz BMLDLSYPLIRNHZ-MFKMUULPSA-N 1 2 354.294 4.293 20 30 FIEDLO N#CCCCn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000443902166 1095172385 /nfs/dbraw/zinc/17/23/85/1095172385.db2.gz BPAJXTACSSMLAH-UHFFFAOYSA-N 1 2 369.428 4.383 20 30 FIEDLO C[C@H]1CSCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329791815 1095266382 /nfs/dbraw/zinc/26/63/82/1095266382.db2.gz DYSDRJFHPSUTAL-OAHLLOKOSA-N 1 2 370.522 4.117 20 30 FIEDLO C[C@@H]1CSCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329791814 1095267238 /nfs/dbraw/zinc/26/72/38/1095267238.db2.gz DYSDRJFHPSUTAL-HNNXBMFYSA-N 1 2 370.522 4.117 20 30 FIEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000329904800 1095309389 /nfs/dbraw/zinc/30/93/89/1095309389.db2.gz RFWIQIVEWYBBQH-RTEYEHBSSA-N 1 2 356.466 4.338 20 30 FIEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1)c1cc2ccccc2o1 ZINC000329904800 1095309404 /nfs/dbraw/zinc/30/94/04/1095309404.db2.gz RFWIQIVEWYBBQH-RTEYEHBSSA-N 1 2 356.466 4.338 20 30 FIEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000330177318 1095403023 /nfs/dbraw/zinc/40/30/23/1095403023.db2.gz CWPZTHJPONRNJC-IBGZPJMESA-N 1 2 374.488 4.145 20 30 FIEDLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330253125 1095438162 /nfs/dbraw/zinc/43/81/62/1095438162.db2.gz IRGHCQKVSGQEDR-DGCLKSJQSA-N 1 2 364.902 4.296 20 30 FIEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502539689 1095565102 /nfs/dbraw/zinc/56/51/02/1095565102.db2.gz IGGLDOOSCBCTDP-UHFFFAOYSA-N 1 2 359.473 4.157 20 30 FIEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502539689 1095565115 /nfs/dbraw/zinc/56/51/15/1095565115.db2.gz IGGLDOOSCBCTDP-UHFFFAOYSA-N 1 2 359.473 4.157 20 30 FIEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551581 1095584910 /nfs/dbraw/zinc/58/49/10/1095584910.db2.gz AEVAGBPKNMRQQT-KRWDZBQOSA-N 1 2 370.456 4.382 20 30 FIEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502551581 1095584922 /nfs/dbraw/zinc/58/49/22/1095584922.db2.gz AEVAGBPKNMRQQT-KRWDZBQOSA-N 1 2 370.456 4.382 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000027775551 1095649236 /nfs/dbraw/zinc/64/92/36/1095649236.db2.gz NPMLFPRUAXNTHX-UHFFFAOYSA-N 1 2 359.267 4.076 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000027775551 1095649243 /nfs/dbraw/zinc/64/92/43/1095649243.db2.gz NPMLFPRUAXNTHX-UHFFFAOYSA-N 1 2 359.267 4.076 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccccc1 ZINC000027775381 1095650323 /nfs/dbraw/zinc/65/03/23/1095650323.db2.gz OKQCMFWPFQUCAS-UHFFFAOYSA-N 1 2 373.294 4.384 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccccc1 ZINC000027775381 1095650330 /nfs/dbraw/zinc/65/03/30/1095650330.db2.gz OKQCMFWPFQUCAS-UHFFFAOYSA-N 1 2 373.294 4.384 20 30 FIEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272596486 1096195293 /nfs/dbraw/zinc/19/52/93/1096195293.db2.gz QFWBQAUDNVKEKW-SFHVURJKSA-N 1 2 361.489 4.230 20 30 FIEDLO C=CCCc1ccccc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000504272272 1096728044 /nfs/dbraw/zinc/72/80/44/1096728044.db2.gz SVFKPXBSJDXEOA-UHFFFAOYSA-N 1 2 372.472 4.190 20 30 FIEDLO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccc(F)cc1Cl ZINC000533079508 1098747880 /nfs/dbraw/zinc/74/78/80/1098747880.db2.gz YEOGIOFQCMFHAT-UHFFFAOYSA-N 1 2 362.832 4.008 20 30 FIEDLO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccc(F)cc1Cl ZINC000533079508 1098747897 /nfs/dbraw/zinc/74/78/97/1098747897.db2.gz YEOGIOFQCMFHAT-UHFFFAOYSA-N 1 2 362.832 4.008 20 30 FIEDLO C=C(C)[C@@H](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)OCC ZINC000436163534 1098782229 /nfs/dbraw/zinc/78/22/29/1098782229.db2.gz QYSZARSEIJUSAP-LJQANCHMSA-N 1 2 353.466 4.196 20 30 FIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436252337 1098866426 /nfs/dbraw/zinc/86/64/26/1098866426.db2.gz LKVRDZAPHGTRKE-UHFFFAOYSA-N 1 2 354.498 4.072 20 30 FIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436252337 1098866442 /nfs/dbraw/zinc/86/64/42/1098866442.db2.gz LKVRDZAPHGTRKE-UHFFFAOYSA-N 1 2 354.498 4.072 20 30 FIEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000505831978 1099047228 /nfs/dbraw/zinc/04/72/28/1099047228.db2.gz JSMTYPFRKIGXBZ-NRFANRHFSA-N 1 2 372.472 4.224 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000161517197 1099502923 /nfs/dbraw/zinc/50/29/23/1099502923.db2.gz XCSVDRIOHDSWGU-OAHLLOKOSA-N 1 2 366.440 4.130 20 30 FIEDLO CC[N@@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@H](C)C#N ZINC000437581925 1100008267 /nfs/dbraw/zinc/00/82/67/1100008267.db2.gz QFZIVTWQKJGFRD-QGZVFWFLSA-N 1 2 366.461 4.034 20 30 FIEDLO CC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@H](C)C#N ZINC000437581925 1100008276 /nfs/dbraw/zinc/00/82/76/1100008276.db2.gz QFZIVTWQKJGFRD-QGZVFWFLSA-N 1 2 366.461 4.034 20 30 FIEDLO CCCC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000459396624 1100120730 /nfs/dbraw/zinc/12/07/30/1100120730.db2.gz QOQHEIYLPPTHFA-LJQANCHMSA-N 1 2 353.422 4.496 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nc2c(s1)CCC2 ZINC000459627035 1100357869 /nfs/dbraw/zinc/35/78/69/1100357869.db2.gz AZVLQKDXCQGRQV-JTQLQIEISA-N 1 2 362.296 4.117 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636773 1100373629 /nfs/dbraw/zinc/37/36/29/1100373629.db2.gz ANNKYLYPRBRWRI-INIZCTEOSA-N 1 2 372.818 4.393 20 30 FIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636773 1100373638 /nfs/dbraw/zinc/37/36/38/1100373638.db2.gz ANNKYLYPRBRWRI-INIZCTEOSA-N 1 2 372.818 4.393 20 30 FIEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000438671460 1100847800 /nfs/dbraw/zinc/84/78/00/1100847800.db2.gz NNKOGMYOKLBEPG-QFIPXVFZSA-N 1 2 371.440 4.036 20 30 FIEDLO CCc1cc(C#N)ccc1OC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001270383567 1100881374 /nfs/dbraw/zinc/88/13/74/1100881374.db2.gz ZKDSBECKHLBFSZ-OAQYLSRUSA-N 1 2 362.473 4.389 20 30 FIEDLO CCc1cc(C#N)ccc1OC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001270383567 1100881377 /nfs/dbraw/zinc/88/13/77/1100881377.db2.gz ZKDSBECKHLBFSZ-OAQYLSRUSA-N 1 2 362.473 4.389 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000537172113 1101516565 /nfs/dbraw/zinc/51/65/65/1101516565.db2.gz YTUPJSOOHASJAY-RTBURBONSA-N 1 2 366.480 4.391 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426768 1101560666 /nfs/dbraw/zinc/56/06/66/1101560666.db2.gz JAOKXYKUOCGVKD-XIKOKIGWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426426768 1101560673 /nfs/dbraw/zinc/56/06/73/1101560673.db2.gz JAOKXYKUOCGVKD-XIKOKIGWSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427975 1101576473 /nfs/dbraw/zinc/57/64/73/1101576473.db2.gz QKWRETLHPJLCEZ-BLVKFPJESA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427975 1101576481 /nfs/dbraw/zinc/57/64/81/1101576481.db2.gz QKWRETLHPJLCEZ-BLVKFPJESA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1cc(C)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)[nH+]1 ZINC000102719302 1101984592 /nfs/dbraw/zinc/98/45/92/1101984592.db2.gz HDPDKROWWZMNTF-UHFFFAOYSA-N 1 2 361.401 4.303 20 30 FIEDLO CC(C)(C)c1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104712785 1102367852 /nfs/dbraw/zinc/36/78/52/1102367852.db2.gz PADNDFHMNAKVEW-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cccc(C#N)c1 ZINC000532487384 1102427938 /nfs/dbraw/zinc/42/79/38/1102427938.db2.gz LJTZXWVHCFHBBN-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cccc(C#N)c1 ZINC000532487384 1102427940 /nfs/dbraw/zinc/42/79/40/1102427940.db2.gz LJTZXWVHCFHBBN-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000532552823 1102472077 /nfs/dbraw/zinc/47/20/77/1102472077.db2.gz NHOVAUNRVVWCLW-MRXNPFEDSA-N 1 2 356.466 4.097 20 30 FIEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111718025 1102727250 /nfs/dbraw/zinc/72/72/50/1102727250.db2.gz BVEWHFIBROHBIF-UHFFFAOYSA-N 1 2 370.456 4.152 20 30 FIEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cnn(Cc2ccccc2)c1 ZINC000760270444 1103077010 /nfs/dbraw/zinc/07/70/10/1103077010.db2.gz PHNHGTDETSHUPQ-BQYQJAHWSA-N 1 2 362.820 4.129 20 30 FIEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000237210314 1103097390 /nfs/dbraw/zinc/09/73/90/1103097390.db2.gz YDNMMINKALRKHV-HXUWFJFHSA-N 1 2 362.502 4.372 20 30 FIEDLO C=CC[C@H]1N(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CCCC1(C)C ZINC000477120912 1103144894 /nfs/dbraw/zinc/14/48/94/1103144894.db2.gz LKXJTNULBHTUFJ-GOSISDBHSA-N 1 2 361.436 4.216 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000427011538 1103165734 /nfs/dbraw/zinc/16/57/34/1103165734.db2.gz GXDZEACIUSXLHU-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000427011538 1103165741 /nfs/dbraw/zinc/16/57/41/1103165741.db2.gz GXDZEACIUSXLHU-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532753809 1103184010 /nfs/dbraw/zinc/18/40/10/1103184010.db2.gz ZFIGKRSZZIIDIC-CQSZACIVSA-N 1 2 361.898 4.169 20 30 FIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532753809 1103184017 /nfs/dbraw/zinc/18/40/17/1103184017.db2.gz ZFIGKRSZZIIDIC-CQSZACIVSA-N 1 2 361.898 4.169 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739657 1104546038 /nfs/dbraw/zinc/54/60/38/1104546038.db2.gz LJPJVKGAOCBNJZ-ZIAGYGMSSA-N 1 2 372.435 4.068 20 30 FIEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328739657 1104546043 /nfs/dbraw/zinc/54/60/43/1104546043.db2.gz LJPJVKGAOCBNJZ-ZIAGYGMSSA-N 1 2 372.435 4.068 20 30 FIEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1coc(C2CCCC2)n1 ZINC000328814305 1104562730 /nfs/dbraw/zinc/56/27/30/1104562730.db2.gz PEXRIFCOVUVIEO-UHFFFAOYSA-N 1 2 354.454 4.222 20 30 FIEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000441441766 1104721562 /nfs/dbraw/zinc/72/15/62/1104721562.db2.gz ALBNPWZEBSVKOV-OAQYLSRUSA-N 1 2 373.422 4.244 20 30 FIEDLO CCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000520555224 1104987599 /nfs/dbraw/zinc/98/75/99/1104987599.db2.gz YTADAWKXFPHDBI-QGZVFWFLSA-N 1 2 351.288 4.102 20 30 FIEDLO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000520555224 1104987601 /nfs/dbraw/zinc/98/76/01/1104987601.db2.gz YTADAWKXFPHDBI-QGZVFWFLSA-N 1 2 351.288 4.102 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cscc1Br ZINC000508473731 1106781025 /nfs/dbraw/zinc/78/10/25/1106781025.db2.gz MTDXMLSVQPUURX-UHFFFAOYSA-N 1 2 352.257 4.200 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)c1C#N ZINC000530394274 1106998182 /nfs/dbraw/zinc/99/81/82/1106998182.db2.gz XWCSOUOZYDYVTO-GFCCVEGCSA-N 1 2 352.365 4.081 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000530733251 1107279836 /nfs/dbraw/zinc/27/98/36/1107279836.db2.gz XITUEVAHUIEKPA-IBGZPJMESA-N 1 2 362.408 4.475 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3ccc(F)cc3)o2)c1 ZINC000530733251 1107279848 /nfs/dbraw/zinc/27/98/48/1107279848.db2.gz XITUEVAHUIEKPA-IBGZPJMESA-N 1 2 362.408 4.475 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451985417 1107415397 /nfs/dbraw/zinc/41/53/97/1107415397.db2.gz WTSVNOLSYFLMDO-INIZCTEOSA-N 1 2 351.313 4.040 20 30 FIEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451985417 1107415402 /nfs/dbraw/zinc/41/54/02/1107415402.db2.gz WTSVNOLSYFLMDO-INIZCTEOSA-N 1 2 351.313 4.040 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3ccc(F)cc3)o2)cc1 ZINC000530971720 1107437107 /nfs/dbraw/zinc/43/71/07/1107437107.db2.gz AVYJINYXEKPKDP-LJQANCHMSA-N 1 2 362.408 4.475 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3ccc(F)cc3)o2)cc1 ZINC000530971720 1107437108 /nfs/dbraw/zinc/43/71/08/1107437108.db2.gz AVYJINYXEKPKDP-LJQANCHMSA-N 1 2 362.408 4.475 20 30 FIEDLO C=C(C)[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(F)c(F)c1 ZINC000302859624 1107471088 /nfs/dbraw/zinc/47/10/88/1107471088.db2.gz UGWHZTTVVZVRKB-SFHVURJKSA-N 1 2 362.449 4.037 20 30 FIEDLO C=C(C)[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(F)c(F)c1 ZINC000302859624 1107471099 /nfs/dbraw/zinc/47/10/99/1107471099.db2.gz UGWHZTTVVZVRKB-SFHVURJKSA-N 1 2 362.449 4.037 20 30 FIEDLO Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc[nH+]1 ZINC000523949388 1108697111 /nfs/dbraw/zinc/69/71/11/1108697111.db2.gz WKEKMJKYMYBDPT-UHFFFAOYSA-N 1 2 363.804 4.382 20 30 FIEDLO C[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000532345512 1108774108 /nfs/dbraw/zinc/77/41/08/1108774108.db2.gz TYWPOOFTBPVUHJ-WMZHIEFXSA-N 1 2 369.468 4.006 20 30 FIEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(CCC#N)cc2)cs1 ZINC001168108131 1110020714 /nfs/dbraw/zinc/02/07/14/1110020714.db2.gz GSNRZRAFFPINSI-UHFFFAOYSA-N 1 2 360.552 4.006 20 30 FIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528576765 1110033816 /nfs/dbraw/zinc/03/38/16/1110033816.db2.gz ASXMJJIJWXALQA-UHFFFAOYSA-N 1 2 368.456 4.193 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2ncc(Br)cc2F)C2CC2)cc1 ZINC000529523819 1110283606 /nfs/dbraw/zinc/28/36/06/1110283606.db2.gz ZXTNYSBKGDCPID-UHFFFAOYSA-N 1 2 360.230 4.019 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2ncc(Br)cc2F)C2CC2)cc1 ZINC000529523819 1110283608 /nfs/dbraw/zinc/28/36/08/1110283608.db2.gz ZXTNYSBKGDCPID-UHFFFAOYSA-N 1 2 360.230 4.019 20 30 FIEDLO N#CCCn1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000538750610 1111279563 /nfs/dbraw/zinc/27/95/63/1111279563.db2.gz LWQVEBAWKDHUTE-QFIPXVFZSA-N 1 2 372.472 4.037 20 30 FIEDLO N#CCCn1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000538750610 1111279567 /nfs/dbraw/zinc/27/95/67/1111279567.db2.gz LWQVEBAWKDHUTE-QFIPXVFZSA-N 1 2 372.472 4.037 20 30 FIEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000237499700 1111691920 /nfs/dbraw/zinc/69/19/20/1111691920.db2.gz UDSDKPQCWIJDJC-GJZGRUSLSA-N 1 2 354.454 4.259 20 30 FIEDLO CC(C)(C#N)c1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000552926408 1111851387 /nfs/dbraw/zinc/85/13/87/1111851387.db2.gz HVDLTIRKSKKYTR-LJQANCHMSA-N 1 2 358.445 4.372 20 30 FIEDLO C=CCN(CCc1ccccc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393078 1111963833 /nfs/dbraw/zinc/96/38/33/1111963833.db2.gz LYRKRBQOOUOPSG-NRFANRHFSA-N 1 2 359.473 4.189 20 30 FIEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000554637163 1112425651 /nfs/dbraw/zinc/42/56/51/1112425651.db2.gz OYDRGUCBMAOUDE-UHFFFAOYSA-N 1 2 373.460 4.054 20 30 FIEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000554933166 1112570449 /nfs/dbraw/zinc/57/04/49/1112570449.db2.gz PZTGCLGKQGRLIS-RDTXWAMCSA-N 1 2 365.868 4.352 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)cc1 ZINC000482860666 1113383626 /nfs/dbraw/zinc/38/36/26/1113383626.db2.gz PQBPRLDJHVDFIQ-UHFFFAOYSA-N 1 2 350.849 4.107 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)cc1F ZINC000488313168 1113906595 /nfs/dbraw/zinc/90/65/95/1113906595.db2.gz WLZKZSHPAIGOJL-CQSZACIVSA-N 1 2 350.397 4.215 20 30 FIEDLO C=CCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000488615240 1113963954 /nfs/dbraw/zinc/96/39/54/1113963954.db2.gz ATCSPDRPDLUZHI-OAQYLSRUSA-N 1 2 363.505 4.438 20 30 FIEDLO C=CCC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000488687866 1113973552 /nfs/dbraw/zinc/97/35/52/1113973552.db2.gz GQXKCMZSYFASLE-IBGZPJMESA-N 1 2 363.436 4.378 20 30 FIEDLO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490083965 1114216644 /nfs/dbraw/zinc/21/66/44/1114216644.db2.gz VGXOQWQORXQQHA-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490083965 1114216645 /nfs/dbraw/zinc/21/66/45/1114216645.db2.gz VGXOQWQORXQQHA-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc(Cl)cc4)CCC3)o2)c1 ZINC000571068872 1114430831 /nfs/dbraw/zinc/43/08/31/1114430831.db2.gz QACQCADKCBGRLX-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(C#N)CC1 ZINC000572094996 1114593542 /nfs/dbraw/zinc/59/35/42/1114593542.db2.gz VCRUDGUDBJUVCD-UHFFFAOYSA-N 1 2 373.298 4.152 20 30 FIEDLO COC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000589990907 1114876594 /nfs/dbraw/zinc/87/65/94/1114876594.db2.gz KKAFBIKEOHHVKA-QGZVFWFLSA-N 1 2 352.331 4.193 20 30 FIEDLO COc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1OCCCC#N ZINC000594741698 1115481438 /nfs/dbraw/zinc/48/14/38/1115481438.db2.gz CELDIMKVFOAYMD-UHFFFAOYSA-N 1 2 351.450 4.264 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC000593113975 1115558647 /nfs/dbraw/zinc/55/86/47/1115558647.db2.gz YOTSGOQPLZGKIW-UHFFFAOYSA-N 1 2 374.362 4.143 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595781671 1115563542 /nfs/dbraw/zinc/56/35/42/1115563542.db2.gz FJUQQKAUHMIMDF-GOSISDBHSA-N 1 2 363.299 4.102 20 30 FIEDLO Cc1c(Br)cncc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000597026383 1115634688 /nfs/dbraw/zinc/63/46/88/1115634688.db2.gz OBKMIGSONJMJOW-UHFFFAOYSA-N 1 2 368.278 4.314 20 30 FIEDLO Cc1c(Br)cncc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000597026383 1115634690 /nfs/dbraw/zinc/63/46/90/1115634690.db2.gz OBKMIGSONJMJOW-UHFFFAOYSA-N 1 2 368.278 4.314 20 30 FIEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(F)cc4F)C3)cc2)CC1 ZINC000597092043 1115640371 /nfs/dbraw/zinc/64/03/71/1115640371.db2.gz JAWBNCNLVMQDQK-HXUWFJFHSA-N 1 2 354.400 4.093 20 30 FIEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4ccc(F)cc4F)C3)cc2)CC1 ZINC000597092043 1115640372 /nfs/dbraw/zinc/64/03/72/1115640372.db2.gz JAWBNCNLVMQDQK-HXUWFJFHSA-N 1 2 354.400 4.093 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000173483698 1116071204 /nfs/dbraw/zinc/07/12/04/1116071204.db2.gz VFQVHTNQNMQXMB-HUUCEWRRSA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000173483698 1116071205 /nfs/dbraw/zinc/07/12/05/1116071205.db2.gz VFQVHTNQNMQXMB-HUUCEWRRSA-N 1 2 352.573 4.041 20 30 FIEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000463067216 1117953828 /nfs/dbraw/zinc/95/38/28/1117953828.db2.gz BIFHDLBPSHMREF-MRXNPFEDSA-N 1 2 354.885 4.107 20 30 FIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491307168 1118382118 /nfs/dbraw/zinc/38/21/18/1118382118.db2.gz PWAUQYAIWJLWJU-UHFFFAOYSA-N 1 2 368.399 4.174 20 30 FIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491307168 1118382122 /nfs/dbraw/zinc/38/21/22/1118382122.db2.gz PWAUQYAIWJLWJU-UHFFFAOYSA-N 1 2 368.399 4.174 20 30 FIEDLO C=CCC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000188796924 1119795929 /nfs/dbraw/zinc/79/59/29/1119795929.db2.gz NMMOZELGXWJMLL-LJQANCHMSA-N 1 2 352.478 4.415 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189767681 1119915905 /nfs/dbraw/zinc/91/59/05/1119915905.db2.gz ORSIGHVLGJNNAL-IRXDYDNUSA-N 1 2 350.865 4.087 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189767681 1119915907 /nfs/dbraw/zinc/91/59/07/1119915907.db2.gz ORSIGHVLGJNNAL-IRXDYDNUSA-N 1 2 350.865 4.087 20 30 FIEDLO Cn1c[nH+]cc1COC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000762073239 1120690656 /nfs/dbraw/zinc/69/06/56/1120690656.db2.gz YUUAIXRAEDIMBM-UHFFFAOYSA-N 1 2 367.792 4.094 20 30 FIEDLO Cc1cccc([C@@H](C/N=C\c2c(O)ccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000915114052 1120820528 /nfs/dbraw/zinc/82/05/28/1120820528.db2.gz ARIJEEXBRUINRT-TXUMJUCDSA-N 1 2 374.484 4.346 20 30 FIEDLO C=CCn1c(=S)n(C[NH+]2CCC3(CCCC3)CC2)nc1-c1ccncc1 ZINC000153588510 1120935751 /nfs/dbraw/zinc/93/57/51/1120935751.db2.gz IHPXRQZNCOMZSO-UHFFFAOYSA-N 1 2 369.538 4.276 20 30 FIEDLO C=CCOc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)c1 ZINC000237356218 1120976079 /nfs/dbraw/zinc/97/60/79/1120976079.db2.gz VZRVNOFRCNRGBZ-HNNXBMFYSA-N 1 2 365.433 4.161 20 30 FIEDLO COc1ccc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N ZINC000153311321 1121098922 /nfs/dbraw/zinc/09/89/22/1121098922.db2.gz KLWOLSRNVVPLAA-NRFANRHFSA-N 1 2 363.848 4.494 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763330145 1121333910 /nfs/dbraw/zinc/33/39/10/1121333910.db2.gz BYIMDGSBOZCGDR-OAHLLOKOSA-N 1 2 358.486 4.096 20 30 FIEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763330145 1121333919 /nfs/dbraw/zinc/33/39/19/1121333919.db2.gz BYIMDGSBOZCGDR-OAHLLOKOSA-N 1 2 358.486 4.096 20 30 FIEDLO Clc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000915932981 1121353845 /nfs/dbraw/zinc/35/38/45/1121353845.db2.gz GNFVRQMOVHQMAJ-UHFFFAOYSA-N 1 2 350.249 4.276 20 30 FIEDLO C[C@@H]1C[NH+](Cc2ccccc2N=Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000915981576 1121362598 /nfs/dbraw/zinc/36/25/98/1121362598.db2.gz UWLIYQPWTYZDIR-HUUCEWRRSA-N 1 2 358.869 4.405 20 30 FIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000131034285 1122966141 /nfs/dbraw/zinc/96/61/41/1122966141.db2.gz KMOUISRRNRMODR-AZUAARDMSA-N 1 2 366.509 4.092 20 30 FIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000499065112 1123181090 /nfs/dbraw/zinc/18/10/90/1123181090.db2.gz PMILWGUFKQAEPS-HNNXBMFYSA-N 1 2 362.926 4.437 20 30 FIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000499065112 1123181091 /nfs/dbraw/zinc/18/10/91/1123181091.db2.gz PMILWGUFKQAEPS-HNNXBMFYSA-N 1 2 362.926 4.437 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000609623060 1123773211 /nfs/dbraw/zinc/77/32/11/1123773211.db2.gz IFUFRQGPDFKHGA-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO C=CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccco1 ZINC000078709227 1123801248 /nfs/dbraw/zinc/80/12/48/1123801248.db2.gz PADHTDSLSVSGHD-UHFFFAOYSA-N 1 2 356.451 4.037 20 30 FIEDLO Cc1cccc([C@@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000609891793 1123880686 /nfs/dbraw/zinc/88/06/86/1123880686.db2.gz RAPNJCSUFYDRSR-HXUWFJFHSA-N 1 2 355.869 4.006 20 30 FIEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)cc1C(F)(F)F ZINC000301154165 1124198983 /nfs/dbraw/zinc/19/89/83/1124198983.db2.gz BYJHSGQFJFSICH-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO N#Cc1ccc2nc(N3CC[NH+](Cc4ccc(Cl)s4)CC3)ccc2c1 ZINC000301806371 1124261322 /nfs/dbraw/zinc/26/13/22/1124261322.db2.gz FJRXJRNOUWUZTG-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCNc3ccccc32)[nH+]1 ZINC001168645457 1124269769 /nfs/dbraw/zinc/26/97/69/1124269769.db2.gz KQBIJAFOQMIAKP-UYZQIFHOSA-N 1 2 370.522 4.240 20 30 FIEDLO C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301970291 1124274359 /nfs/dbraw/zinc/27/43/59/1124274359.db2.gz DHWSDXVDYPKAAU-OLZOCXBDSA-N 1 2 371.268 4.318 20 30 FIEDLO C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301970291 1124274366 /nfs/dbraw/zinc/27/43/66/1124274366.db2.gz DHWSDXVDYPKAAU-OLZOCXBDSA-N 1 2 371.268 4.318 20 30 FIEDLO C=CCCC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1 ZINC000617418268 1124537749 /nfs/dbraw/zinc/53/77/49/1124537749.db2.gz YGPXSUXJNBLGKV-UHFFFAOYSA-N 1 2 351.494 4.117 20 30 FIEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(Cl)c1 ZINC000075638258 1124911379 /nfs/dbraw/zinc/91/13/79/1124911379.db2.gz JNUYLPXYLKQWKQ-UHFFFAOYSA-N 1 2 352.825 4.284 20 30 FIEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(Cl)c1 ZINC000075638258 1124911384 /nfs/dbraw/zinc/91/13/84/1124911384.db2.gz JNUYLPXYLKQWKQ-UHFFFAOYSA-N 1 2 352.825 4.284 20 30 FIEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1Cl ZINC000181747386 1125124070 /nfs/dbraw/zinc/12/40/70/1125124070.db2.gz ZXYRGRCGEQLMMF-AWEZNQCLSA-N 1 2 359.832 4.077 20 30 FIEDLO C=C(CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000672605618 1125194669 /nfs/dbraw/zinc/19/46/69/1125194669.db2.gz FTJHNLTUHMYRRL-HNNXBMFYSA-N 1 2 370.522 4.210 20 30 FIEDLO C=C(CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000672605618 1125194672 /nfs/dbraw/zinc/19/46/72/1125194672.db2.gz FTJHNLTUHMYRRL-HNNXBMFYSA-N 1 2 370.522 4.210 20 30 FIEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000609487611 568345357 /nfs/dbraw/zinc/34/53/57/568345357.db2.gz RKNYLGHVBXVJRN-UHFFFAOYSA-N 1 2 370.324 4.214 20 30 FIEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000609487611 568345358 /nfs/dbraw/zinc/34/53/58/568345358.db2.gz RKNYLGHVBXVJRN-UHFFFAOYSA-N 1 2 370.324 4.214 20 30 FIEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000569379795 568396763 /nfs/dbraw/zinc/39/67/63/568396763.db2.gz RFMVYAWYVPEEFC-OAHLLOKOSA-N 1 2 362.433 4.022 20 30 FIEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000569379795 568396764 /nfs/dbraw/zinc/39/67/64/568396764.db2.gz RFMVYAWYVPEEFC-OAHLLOKOSA-N 1 2 362.433 4.022 20 30 FIEDLO C[NH+](C)[C@@H](C(=O)Nc1cc(C#N)c2ccccc2n1)c1cccc(Cl)c1 ZINC000569962918 568444617 /nfs/dbraw/zinc/44/46/17/568444617.db2.gz FLLDUXPLNZBIRL-LJQANCHMSA-N 1 2 364.836 4.001 20 30 FIEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000570094389 568450513 /nfs/dbraw/zinc/45/05/13/568450513.db2.gz BKJSBWBQYFTZCG-QGZVFWFLSA-N 1 2 367.796 4.055 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000619785623 1125695962 /nfs/dbraw/zinc/69/59/62/1125695962.db2.gz KNWWYIZVDQMNIQ-UHFFFAOYSA-N 1 2 358.445 4.325 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000619785623 1125695965 /nfs/dbraw/zinc/69/59/65/1125695965.db2.gz KNWWYIZVDQMNIQ-UHFFFAOYSA-N 1 2 358.445 4.325 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1Cl ZINC001143372853 1079724567 /nfs/dbraw/zinc/72/45/67/1079724567.db2.gz OFOFSYQBJBQQLE-HNNXBMFYSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1Cl ZINC001143372853 1079724576 /nfs/dbraw/zinc/72/45/76/1079724576.db2.gz OFOFSYQBJBQQLE-HNNXBMFYSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1Cl ZINC001143372854 1079728389 /nfs/dbraw/zinc/72/83/89/1079728389.db2.gz OFOFSYQBJBQQLE-OAHLLOKOSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1Cl ZINC001143372854 1079728393 /nfs/dbraw/zinc/72/83/93/1079728393.db2.gz OFOFSYQBJBQQLE-OAHLLOKOSA-N 1 2 374.843 4.403 20 30 FIEDLO CC[C@@H](CC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510085398 1079920514 /nfs/dbraw/zinc/92/05/14/1079920514.db2.gz ZXQOGUWJVFSRLB-QFIPXVFZSA-N 1 2 367.537 4.199 20 30 FIEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000471154762 1079973431 /nfs/dbraw/zinc/97/34/31/1079973431.db2.gz WDNIQXLHTTWXFQ-NRFANRHFSA-N 1 2 374.513 4.193 20 30 FIEDLO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2ccc(C#N)c(F)c2)cn1 ZINC000430253826 1080170928 /nfs/dbraw/zinc/17/09/28/1080170928.db2.gz ARALGXLGPALQLU-UHFFFAOYSA-N 1 2 368.843 4.287 20 30 FIEDLO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(C#N)c(F)c2)cn1 ZINC000430253826 1080170932 /nfs/dbraw/zinc/17/09/32/1080170932.db2.gz ARALGXLGPALQLU-UHFFFAOYSA-N 1 2 368.843 4.287 20 30 FIEDLO Cc1cc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC001167152789 1080746897 /nfs/dbraw/zinc/74/68/97/1080746897.db2.gz RFIPESUIAKGEAI-UHFFFAOYSA-N 1 2 370.884 4.481 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c(F)cc1Cl ZINC001209668183 1080791123 /nfs/dbraw/zinc/79/11/23/1080791123.db2.gz VNUSCYFYTFTLHI-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c(F)cc1Cl ZINC001209668183 1080791130 /nfs/dbraw/zinc/79/11/30/1080791130.db2.gz VNUSCYFYTFTLHI-MRXNPFEDSA-N 1 2 374.843 4.403 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176960040 1081172976 /nfs/dbraw/zinc/17/29/76/1081172976.db2.gz GWKCHKPQZSMPSU-FQEVSTJZSA-N 1 2 358.470 4.386 20 30 FIEDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000177242667 1081198587 /nfs/dbraw/zinc/19/85/87/1081198587.db2.gz XJCQKCQUNFUTPW-SFHVURJKSA-N 1 2 369.490 4.021 20 30 FIEDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000177242667 1081198591 /nfs/dbraw/zinc/19/85/91/1081198591.db2.gz XJCQKCQUNFUTPW-SFHVURJKSA-N 1 2 369.490 4.021 20 30 FIEDLO N#CCc1cc[nH+]c(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000581345708 1082478255 /nfs/dbraw/zinc/47/82/55/1082478255.db2.gz HKZGFUYIFRGVRI-UHFFFAOYSA-N 1 2 357.339 4.169 20 30 FIEDLO C=CCCCCCN(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005181 1082681279 /nfs/dbraw/zinc/68/12/79/1082681279.db2.gz PEVDZZOHPDEEIG-UHFFFAOYSA-N 1 2 372.557 4.109 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000015547378 1083087380 /nfs/dbraw/zinc/08/73/80/1083087380.db2.gz SORWLVKZBXZTIO-INIZCTEOSA-N 1 2 371.531 4.312 20 30 FIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000015547378 1083087387 /nfs/dbraw/zinc/08/73/87/1083087387.db2.gz SORWLVKZBXZTIO-INIZCTEOSA-N 1 2 371.531 4.312 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983838 1083321259 /nfs/dbraw/zinc/32/12/59/1083321259.db2.gz NBYSVUZHBDDUJJ-ZDUSSCGKSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983838 1083321261 /nfs/dbraw/zinc/32/12/61/1083321261.db2.gz NBYSVUZHBDDUJJ-ZDUSSCGKSA-N 1 2 369.303 4.228 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC(F)F)c1 ZINC000179578002 1083566549 /nfs/dbraw/zinc/56/65/49/1083566549.db2.gz HWPKCYOCTFTVNI-LBPRGKRZSA-N 1 2 370.359 4.060 20 30 FIEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)cc(Cl)c1OC ZINC000162247197 1083719366 /nfs/dbraw/zinc/71/93/66/1083719366.db2.gz VMRDMRZOCFYPNZ-UHFFFAOYSA-N 1 2 361.829 4.047 20 30 FIEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000612346666 1083732138 /nfs/dbraw/zinc/73/21/38/1083732138.db2.gz MEPKIKIUZQOVRS-UHFFFAOYSA-N 1 2 374.469 4.423 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000612405880 1083779807 /nfs/dbraw/zinc/77/98/07/1083779807.db2.gz DKEIAZACRSYBHN-HXUWFJFHSA-N 1 2 356.491 4.461 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCc1cccs1 ZINC000612405880 1083779816 /nfs/dbraw/zinc/77/98/16/1083779816.db2.gz DKEIAZACRSYBHN-HXUWFJFHSA-N 1 2 356.491 4.461 20 30 FIEDLO Cc1cc(Br)ccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000728433186 1084082684 /nfs/dbraw/zinc/08/26/84/1084082684.db2.gz WLUNPQFAMFYPOG-UHFFFAOYSA-N 1 2 355.239 4.389 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@H](C)COC ZINC000661241854 1085476406 /nfs/dbraw/zinc/47/64/06/1085476406.db2.gz CVDUHPCMCPTPFE-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@H](C)COC ZINC000661241854 1085476420 /nfs/dbraw/zinc/47/64/20/1085476420.db2.gz CVDUHPCMCPTPFE-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076168708 1085556515 /nfs/dbraw/zinc/55/65/15/1085556515.db2.gz NQNLCZRLRZMVHO-UHFFFAOYSA-N 1 2 357.866 4.416 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000161439946 1085861235 /nfs/dbraw/zinc/86/12/35/1085861235.db2.gz DBNDBRNMEIKDNA-FQEVSTJZSA-N 1 2 350.393 4.026 20 30 FIEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000161439946 1085861241 /nfs/dbraw/zinc/86/12/41/1085861241.db2.gz DBNDBRNMEIKDNA-FQEVSTJZSA-N 1 2 350.393 4.026 20 30 FIEDLO C=C[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278941802 1086714276 /nfs/dbraw/zinc/71/42/76/1086714276.db2.gz LCKXHRHFGMMJBS-SFHVURJKSA-N 1 2 363.505 4.285 20 30 FIEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCc4cccnc43)n2)CC1 ZINC000329146469 1086719914 /nfs/dbraw/zinc/71/99/14/1086719914.db2.gz AMPBRXREGZUXJK-MRXNPFEDSA-N 1 2 356.495 4.088 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000365511188 1086805225 /nfs/dbraw/zinc/80/52/25/1086805225.db2.gz IJMVXCNQMDKALY-MOPGFXCFSA-N 1 2 352.482 4.017 20 30 FIEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(OC)c1O ZINC000245789421 1086845496 /nfs/dbraw/zinc/84/54/96/1086845496.db2.gz VWMBLHVQVNFLAL-KUHUBIRLSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(OC)c1O ZINC000245789421 1086845513 /nfs/dbraw/zinc/84/55/13/1086845513.db2.gz VWMBLHVQVNFLAL-KUHUBIRLSA-N 1 2 359.491 4.153 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000583639595 1086890020 /nfs/dbraw/zinc/89/00/20/1086890020.db2.gz LKGKHYOUDHMJAI-QGZVFWFLSA-N 1 2 367.518 4.096 20 30 FIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000583639595 1086890035 /nfs/dbraw/zinc/89/00/35/1086890035.db2.gz LKGKHYOUDHMJAI-QGZVFWFLSA-N 1 2 367.518 4.096 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638702 1087000323 /nfs/dbraw/zinc/00/03/23/1087000323.db2.gz MLOUGBCMKRHHNG-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638702 1087000329 /nfs/dbraw/zinc/00/03/29/1087000329.db2.gz MLOUGBCMKRHHNG-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc(C#N)c1 ZINC000611798305 1087083718 /nfs/dbraw/zinc/08/37/18/1087083718.db2.gz XHAOBVGUPZQAIW-GFCCVEGCSA-N 1 2 372.259 4.297 20 30 FIEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000128167514 1087316947 /nfs/dbraw/zinc/31/69/47/1087316947.db2.gz PQSOMDXLKQARHX-UHFFFAOYSA-N 1 2 357.841 4.025 20 30 FIEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c(C#N)c1C ZINC000128167514 1087316951 /nfs/dbraw/zinc/31/69/51/1087316951.db2.gz PQSOMDXLKQARHX-UHFFFAOYSA-N 1 2 357.841 4.025 20 30 FIEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000302816340 1087564722 /nfs/dbraw/zinc/56/47/22/1087564722.db2.gz VVPPEGYOHQCUHY-INIZCTEOSA-N 1 2 371.531 4.161 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3ccc(C)nc3)CC2)c1C#N ZINC000611942017 1087598892 /nfs/dbraw/zinc/59/88/92/1087598892.db2.gz QDIJAOUATKKQEK-UHFFFAOYSA-N 1 2 371.488 4.135 20 30 FIEDLO C=CCOc1ccc(Br)cc1NCc1c[nH+]cn1C(C)C ZINC000424176066 1087806719 /nfs/dbraw/zinc/80/67/19/1087806719.db2.gz RMAWBLWEFWKWMK-UHFFFAOYSA-N 1 2 350.260 4.403 20 30 FIEDLO C=CCCc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000505010023 1088046806 /nfs/dbraw/zinc/04/68/06/1088046806.db2.gz AMMWYILAQPIOAC-UHFFFAOYSA-N 1 2 364.424 4.452 20 30 FIEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670278 1089035790 /nfs/dbraw/zinc/03/57/90/1089035790.db2.gz QVFVFKUEUHRYEY-PBHICJAKSA-N 1 2 371.308 4.114 20 30 FIEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000472670278 1089035807 /nfs/dbraw/zinc/03/58/07/1089035807.db2.gz QVFVFKUEUHRYEY-PBHICJAKSA-N 1 2 371.308 4.114 20 30 FIEDLO CCOc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc(Cl)c1OC ZINC000434978684 1089180497 /nfs/dbraw/zinc/18/04/97/1089180497.db2.gz OYOZBPQDTZUTKK-UHFFFAOYSA-N 1 2 362.832 4.390 20 30 FIEDLO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc(Cl)c1OC ZINC000434978684 1089180500 /nfs/dbraw/zinc/18/05/00/1089180500.db2.gz OYOZBPQDTZUTKK-UHFFFAOYSA-N 1 2 362.832 4.390 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000123404510 1091163995 /nfs/dbraw/zinc/16/39/95/1091163995.db2.gz AAWFDFZOJQDCPH-GFCCVEGCSA-N 1 2 374.897 4.152 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)C1 ZINC000123404510 1091164004 /nfs/dbraw/zinc/16/40/04/1091164004.db2.gz AAWFDFZOJQDCPH-GFCCVEGCSA-N 1 2 374.897 4.152 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C(F)(F)F)cc1 ZINC000584558555 1091241573 /nfs/dbraw/zinc/24/15/73/1091241573.db2.gz WIDZEOLGYFQQKZ-LBPRGKRZSA-N 1 2 372.350 4.478 20 30 FIEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1F ZINC000181636564 1091321833 /nfs/dbraw/zinc/32/18/33/1091321833.db2.gz FXGJODQMWBIYGP-IBGZPJMESA-N 1 2 368.387 4.373 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000093090598 1092248409 /nfs/dbraw/zinc/24/84/09/1092248409.db2.gz POIGOECSYNUGGC-ZDUSSCGKSA-N 1 2 367.287 4.147 20 30 FIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000093090598 1092248423 /nfs/dbraw/zinc/24/84/23/1092248423.db2.gz POIGOECSYNUGGC-ZDUSSCGKSA-N 1 2 367.287 4.147 20 30 FIEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(OC)c1OCc1ccccc1 ZINC000093090943 1092250711 /nfs/dbraw/zinc/25/07/11/1092250711.db2.gz PVUMQMLJVWQIMF-MRXNPFEDSA-N 1 2 354.450 4.017 20 30 FIEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(OC)c1OCc1ccccc1 ZINC000093090943 1092250719 /nfs/dbraw/zinc/25/07/19/1092250719.db2.gz PVUMQMLJVWQIMF-MRXNPFEDSA-N 1 2 354.450 4.017 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121019929 1092589052 /nfs/dbraw/zinc/58/90/52/1092589052.db2.gz HLWTXTADTAIGEL-AWEZNQCLSA-N 1 2 356.495 4.078 20 30 FIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000121019929 1092589059 /nfs/dbraw/zinc/58/90/59/1092589059.db2.gz HLWTXTADTAIGEL-AWEZNQCLSA-N 1 2 356.495 4.078 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512512601 1092623607 /nfs/dbraw/zinc/62/36/07/1092623607.db2.gz XORXVOQCWOCGDY-RTBURBONSA-N 1 2 368.525 4.108 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512512601 1092623612 /nfs/dbraw/zinc/62/36/12/1092623612.db2.gz XORXVOQCWOCGDY-RTBURBONSA-N 1 2 368.525 4.108 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)o2)cc1 ZINC000614248068 1093292937 /nfs/dbraw/zinc/29/29/37/1093292937.db2.gz ZFSLNVGUWQLFBR-OAQYLSRUSA-N 1 2 352.434 4.249 20 30 FIEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)o2)cc1 ZINC000614248068 1093292943 /nfs/dbraw/zinc/29/29/43/1093292943.db2.gz ZFSLNVGUWQLFBR-OAQYLSRUSA-N 1 2 352.434 4.249 20 30 FIEDLO CCCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509800340 1093378215 /nfs/dbraw/zinc/37/82/15/1093378215.db2.gz WBSCSDBKCMBRKL-CYBMUJFWSA-N 1 2 369.303 4.228 20 30 FIEDLO CCCOc1c(Br)cc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC ZINC000509800340 1093378225 /nfs/dbraw/zinc/37/82/25/1093378225.db2.gz WBSCSDBKCMBRKL-CYBMUJFWSA-N 1 2 369.303 4.228 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)c(F)c1 ZINC000512816384 1093388788 /nfs/dbraw/zinc/38/87/88/1093388788.db2.gz GVUQNAXVBDSMHO-UHFFFAOYSA-N 1 2 368.839 4.246 20 30 FIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000509807721 1093419798 /nfs/dbraw/zinc/41/97/98/1093419798.db2.gz POSCGOAUAOOWRE-MFKMUULPSA-N 1 2 354.294 4.150 20 30 FIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000509807721 1093419809 /nfs/dbraw/zinc/41/98/09/1093419809.db2.gz POSCGOAUAOOWRE-MFKMUULPSA-N 1 2 354.294 4.150 20 30 FIEDLO Cc1nc2sccn2c1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000474289426 1093654715 /nfs/dbraw/zinc/65/47/15/1093654715.db2.gz MUSKIDYXOHEBDS-UHFFFAOYSA-N 1 2 363.408 4.207 20 30 FIEDLO Cc1nc2sccn2c1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000474289426 1093654717 /nfs/dbraw/zinc/65/47/17/1093654717.db2.gz MUSKIDYXOHEBDS-UHFFFAOYSA-N 1 2 363.408 4.207 20 30 FIEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)c(F)c1 ZINC000513028021 1093676854 /nfs/dbraw/zinc/67/68/54/1093676854.db2.gz SSWJLOGBRCDUCN-UHFFFAOYSA-N 1 2 355.157 4.028 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025399172 1093713397 /nfs/dbraw/zinc/71/33/97/1093713397.db2.gz QTVVGCFMXLKLNP-HXUWFJFHSA-N 1 2 373.481 4.206 20 30 FIEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025399172 1093713404 /nfs/dbraw/zinc/71/34/04/1093713404.db2.gz QTVVGCFMXLKLNP-HXUWFJFHSA-N 1 2 373.481 4.206 20 30 FIEDLO N#CCCOCC[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000549932654 1093991249 /nfs/dbraw/zinc/99/12/49/1093991249.db2.gz QMYZFCOYNPNYSQ-UHFFFAOYSA-N 1 2 360.502 4.187 20 30 FIEDLO C=C(C)COc1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)ccc1OC ZINC000430025544 1094192721 /nfs/dbraw/zinc/19/27/21/1094192721.db2.gz LDDKNBDVHSZNEZ-UHFFFAOYSA-N 1 2 369.358 4.496 20 30 FIEDLO C=C(C)CN(CC)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501032965 1094431442 /nfs/dbraw/zinc/43/14/42/1094431442.db2.gz QJRJJIVEQZWMLD-QGZVFWFLSA-N 1 2 367.896 4.224 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(F)c1F ZINC000430036145 1094564816 /nfs/dbraw/zinc/56/48/16/1094564816.db2.gz RFCFTELHEOKIOI-UHFFFAOYSA-N 1 2 353.237 4.273 20 30 FIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329121718 1094747286 /nfs/dbraw/zinc/74/72/86/1094747286.db2.gz WHXLIHQSESHCEH-FGTMMUONSA-N 1 2 357.498 4.421 20 30 FIEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000329785125 1095265312 /nfs/dbraw/zinc/26/53/12/1095265312.db2.gz WSOCLEYMAUPSDM-GUDVDZBRSA-N 1 2 366.509 4.251 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000329856223 1095294188 /nfs/dbraw/zinc/29/41/88/1095294188.db2.gz UPFSEDDWPFHZLV-MORSLUCNSA-N 1 2 359.470 4.160 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000329856223 1095294203 /nfs/dbraw/zinc/29/42/03/1095294203.db2.gz UPFSEDDWPFHZLV-MORSLUCNSA-N 1 2 359.470 4.160 20 30 FIEDLO Cc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000330325172 1095509260 /nfs/dbraw/zinc/50/92/60/1095509260.db2.gz IZSKSRFHCKPPGN-UHFFFAOYSA-N 1 2 356.445 4.092 20 30 FIEDLO Cc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000502542244 1095565714 /nfs/dbraw/zinc/56/57/14/1095565714.db2.gz XZIMLJXQXUKJFX-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO Cc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000502542244 1095565730 /nfs/dbraw/zinc/56/57/30/1095565730.db2.gz XZIMLJXQXUKJFX-UHFFFAOYSA-N 1 2 356.429 4.206 20 30 FIEDLO CSc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502552361 1095582678 /nfs/dbraw/zinc/58/26/78/1095582678.db2.gz FYLSHRDFAHWLDS-UHFFFAOYSA-N 1 2 363.486 4.008 20 30 FIEDLO CSc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502552361 1095582688 /nfs/dbraw/zinc/58/26/88/1095582688.db2.gz FYLSHRDFAHWLDS-UHFFFAOYSA-N 1 2 363.486 4.008 20 30 FIEDLO CSc1ccccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000367095168 1095948438 /nfs/dbraw/zinc/94/84/38/1095948438.db2.gz VTIKHBQTYGCGKG-ZDUSSCGKSA-N 1 2 350.447 4.181 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505835441 1099054221 /nfs/dbraw/zinc/05/42/21/1099054221.db2.gz XRVZRVDDPIIGMS-RXQFDZFGSA-N 1 2 365.502 4.353 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505835441 1099054233 /nfs/dbraw/zinc/05/42/33/1099054233.db2.gz XRVZRVDDPIIGMS-RXQFDZFGSA-N 1 2 365.502 4.353 20 30 FIEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(OC(F)F)c1 ZINC000437413165 1099903582 /nfs/dbraw/zinc/90/35/82/1099903582.db2.gz ZIXKLLHZANMHFL-FQEVSTJZSA-N 1 2 365.383 4.434 20 30 FIEDLO N#Cc1csc(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)n1 ZINC000516898771 1099923072 /nfs/dbraw/zinc/92/30/72/1099923072.db2.gz GMOZEHKCNGISTN-UHFFFAOYSA-N 1 2 351.397 4.446 20 30 FIEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)n1 ZINC000516898771 1099923076 /nfs/dbraw/zinc/92/30/76/1099923076.db2.gz GMOZEHKCNGISTN-UHFFFAOYSA-N 1 2 351.397 4.446 20 30 FIEDLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459582360 1100308255 /nfs/dbraw/zinc/30/82/55/1100308255.db2.gz NLHVWJACWCDVNC-UHFFFAOYSA-N 1 2 371.531 4.139 20 30 FIEDLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000459582360 1100308263 /nfs/dbraw/zinc/30/82/63/1100308263.db2.gz NLHVWJACWCDVNC-UHFFFAOYSA-N 1 2 371.531 4.139 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000438102790 1100430670 /nfs/dbraw/zinc/43/06/70/1100430670.db2.gz WMVUKBYMKLUVRX-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000438102790 1100430673 /nfs/dbraw/zinc/43/06/73/1100430673.db2.gz WMVUKBYMKLUVRX-NRFANRHFSA-N 1 2 367.855 4.286 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000537039337 1101397865 /nfs/dbraw/zinc/39/78/65/1101397865.db2.gz MUDIGPDSRZAYQS-SJLPKXTDSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000537039337 1101397886 /nfs/dbraw/zinc/39/78/86/1101397886.db2.gz MUDIGPDSRZAYQS-SJLPKXTDSA-N 1 2 365.235 4.094 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000426393599 1101464493 /nfs/dbraw/zinc/46/44/93/1101464493.db2.gz GDPUPEUSNARSPF-LJQANCHMSA-N 1 2 363.379 4.331 20 30 FIEDLO FC(F)(F)c1ccc(C#CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000426393599 1101464501 /nfs/dbraw/zinc/46/45/01/1101464501.db2.gz GDPUPEUSNARSPF-LJQANCHMSA-N 1 2 363.379 4.331 20 30 FIEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)c1C#N ZINC000537123880 1101468985 /nfs/dbraw/zinc/46/89/85/1101468985.db2.gz MOAPHUAEXRMXAU-LJQANCHMSA-N 1 2 358.388 4.110 20 30 FIEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccccc1 ZINC000537172111 1101516782 /nfs/dbraw/zinc/51/67/82/1101516782.db2.gz YTUPJSOOHASJAY-OALUTQOASA-N 1 2 366.480 4.391 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c(C#N)c1C ZINC000426452497 1101650926 /nfs/dbraw/zinc/65/09/26/1101650926.db2.gz ZYTWNTGUXOSCIM-SGTLLEGYSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c(C#N)c1C ZINC000426452497 1101650932 /nfs/dbraw/zinc/65/09/32/1101650932.db2.gz ZYTWNTGUXOSCIM-SGTLLEGYSA-N 1 2 371.481 4.397 20 30 FIEDLO CCOc1ccc(/C=[NH+]\C[C@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000760227425 1101877077 /nfs/dbraw/zinc/87/70/77/1101877077.db2.gz PKPLUCRVZNWJOV-DTHVTWRFSA-N 1 2 351.406 4.064 20 30 FIEDLO CCOc1ccc(/C=[NH+]\C[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000760227429 1101878103 /nfs/dbraw/zinc/87/81/03/1101878103.db2.gz PKPLUCRVZNWJOV-SFDYMUJDSA-N 1 2 351.406 4.064 20 30 FIEDLO N#Cc1csc(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)n1 ZINC000897629904 1102019000 /nfs/dbraw/zinc/01/90/00/1102019000.db2.gz OFWNAHQWDYXUGU-UHFFFAOYSA-N 1 2 363.490 4.283 20 30 FIEDLO C=CC[C@H](CC)NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001270621832 1102280096 /nfs/dbraw/zinc/28/00/96/1102280096.db2.gz CCVJIEZIJJIGBF-IRXDYDNUSA-N 1 2 365.315 4.057 20 30 FIEDLO CN(C)c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c[nH+]1 ZINC000532432850 1102316073 /nfs/dbraw/zinc/31/60/73/1102316073.db2.gz PMFCLYRUCVHBKO-UHFFFAOYSA-N 1 2 358.445 4.210 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccn1 ZINC000124042777 1102641113 /nfs/dbraw/zinc/64/11/13/1102641113.db2.gz UWTWXOUKEMFTSQ-UZUQRXQVSA-N 1 2 373.456 4.260 20 30 FIEDLO N#Cc1cccc(OCCOc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000550987796 1102747870 /nfs/dbraw/zinc/74/78/70/1102747870.db2.gz DMVVTOSOCORHHI-UHFFFAOYSA-N 1 2 359.429 4.216 20 30 FIEDLO C=C(C)CN(CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477321481 1103352236 /nfs/dbraw/zinc/35/22/36/1103352236.db2.gz SUHXTYKGMVZPHO-KRWDZBQOSA-N 1 2 367.896 4.051 20 30 FIEDLO C=C(C)CN(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477321481 1103352250 /nfs/dbraw/zinc/35/22/50/1103352250.db2.gz SUHXTYKGMVZPHO-KRWDZBQOSA-N 1 2 367.896 4.051 20 30 FIEDLO CC[C@H](C)[N@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000551926586 1103791717 /nfs/dbraw/zinc/79/17/17/1103791717.db2.gz PQWUFZDCYAAEPC-ZDUSSCGKSA-N 1 2 352.463 4.069 20 30 FIEDLO CC[C@H](C)[N@@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000551926586 1103791734 /nfs/dbraw/zinc/79/17/34/1103791734.db2.gz PQWUFZDCYAAEPC-ZDUSSCGKSA-N 1 2 352.463 4.069 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(C(F)F)no2)C(C)(C)C)cc1 ZINC000425420753 1104826273 /nfs/dbraw/zinc/82/62/73/1104826273.db2.gz LKJKUDQYIIKIDC-UHFFFAOYSA-N 1 2 351.397 4.373 20 30 FIEDLO C=CCOc1ccc(C[N@H+](Cc2nc(C(F)F)no2)C(C)(C)C)cc1 ZINC000425420753 1104826282 /nfs/dbraw/zinc/82/62/82/1104826282.db2.gz LKJKUDQYIIKIDC-UHFFFAOYSA-N 1 2 351.397 4.373 20 30 FIEDLO C[C@H]1C[C@]1([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1 ZINC000520589865 1105019655 /nfs/dbraw/zinc/01/96/55/1105019655.db2.gz KAMDIFDYOOMINM-RNODOKPDSA-N 1 2 364.836 4.287 20 30 FIEDLO C=CC[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000427926529 1105321575 /nfs/dbraw/zinc/32/15/75/1105321575.db2.gz WTWNGAOERAIBQO-NRFANRHFSA-N 1 2 351.494 4.262 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626448 1106872858 /nfs/dbraw/zinc/87/28/58/1106872858.db2.gz YDXRNGGOJKFLRA-TZRIAGMCSA-N 1 2 369.509 4.011 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665626448 1106872879 /nfs/dbraw/zinc/87/28/79/1106872879.db2.gz YDXRNGGOJKFLRA-TZRIAGMCSA-N 1 2 369.509 4.011 20 30 FIEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665625458 1106874116 /nfs/dbraw/zinc/87/41/16/1106874116.db2.gz DESVHXNWADLHDT-IRXDYDNUSA-N 1 2 359.514 4.162 20 30 FIEDLO C=CCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000451471958 1107121689 /nfs/dbraw/zinc/12/16/89/1107121689.db2.gz QSWKUWQTDAZMBL-SFHVURJKSA-N 1 2 355.526 4.452 20 30 FIEDLO C=CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc2c(s1)CCCC2 ZINC000530781271 1107325685 /nfs/dbraw/zinc/32/56/85/1107325685.db2.gz TWUOMCPLRBXNTM-UHFFFAOYSA-N 1 2 364.474 4.040 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3ccc(F)cc3)o2)cc1 ZINC000530971690 1107436481 /nfs/dbraw/zinc/43/64/81/1107436481.db2.gz AVYJINYXEKPKDP-IBGZPJMESA-N 1 2 362.408 4.475 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3ccc(F)cc3)o2)cc1 ZINC000530971690 1107436488 /nfs/dbraw/zinc/43/64/88/1107436488.db2.gz AVYJINYXEKPKDP-IBGZPJMESA-N 1 2 362.408 4.475 20 30 FIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121509350 1108254019 /nfs/dbraw/zinc/25/40/19/1108254019.db2.gz SRLIQONSYLJBPC-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[nH+]c12 ZINC000524162381 1108875533 /nfs/dbraw/zinc/87/55/33/1108875533.db2.gz WDJWYVJFTBKKGX-UHFFFAOYSA-N 1 2 364.474 4.026 20 30 FIEDLO N#Cc1c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cn2ccccc12 ZINC000446649560 1109303279 /nfs/dbraw/zinc/30/32/79/1109303279.db2.gz RNAOCTAAIAUIEV-UHFFFAOYSA-N 1 2 365.440 4.338 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000026324056 1110144297 /nfs/dbraw/zinc/14/42/97/1110144297.db2.gz YXJODSNRLMUKMZ-UHFFFAOYSA-N 1 2 369.468 4.220 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000026324056 1110144299 /nfs/dbraw/zinc/14/42/99/1110144299.db2.gz YXJODSNRLMUKMZ-UHFFFAOYSA-N 1 2 369.468 4.220 20 30 FIEDLO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1cccc(C#N)c1 ZINC000026329662 1110169009 /nfs/dbraw/zinc/16/90/09/1110169009.db2.gz JIVBNZZIRRECPP-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1cccc(C#N)c1 ZINC000026329662 1110169012 /nfs/dbraw/zinc/16/90/12/1110169012.db2.gz JIVBNZZIRRECPP-UHFFFAOYSA-N 1 2 372.350 4.259 20 30 FIEDLO C=CCN(CCc1ccccc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553393081 1111963802 /nfs/dbraw/zinc/96/38/02/1111963802.db2.gz LYRKRBQOOUOPSG-OAQYLSRUSA-N 1 2 359.473 4.189 20 30 FIEDLO CC[C@H](Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000479475536 1112037169 /nfs/dbraw/zinc/03/71/69/1112037169.db2.gz NDCZKQCLDVIEGW-FTRWYGJKSA-N 1 2 350.466 4.130 20 30 FIEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000554240537 1112256067 /nfs/dbraw/zinc/25/60/67/1112256067.db2.gz XBSJCWNCGHCYHQ-FQEVSTJZSA-N 1 2 370.456 4.221 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551431 1112472771 /nfs/dbraw/zinc/47/27/71/1112472771.db2.gz KXFLRDXOSYOGAE-AEFFLSMTSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC000480551431 1112472775 /nfs/dbraw/zinc/47/27/75/1112472775.db2.gz KXFLRDXOSYOGAE-AEFFLSMTSA-N 1 2 366.427 4.102 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C#N ZINC000483259668 1113475242 /nfs/dbraw/zinc/47/52/42/1113475242.db2.gz XMVUFRQGHLZTJI-LJQANCHMSA-N 1 2 365.868 4.277 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C#N ZINC000483259668 1113475246 /nfs/dbraw/zinc/47/52/46/1113475246.db2.gz XMVUFRQGHLZTJI-LJQANCHMSA-N 1 2 365.868 4.277 20 30 FIEDLO CC(C)[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000486701321 1113625647 /nfs/dbraw/zinc/62/56/47/1113625647.db2.gz RYZKUMNHYOBPAC-UHFFFAOYSA-N 1 2 364.424 4.082 20 30 FIEDLO CC(C)[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000486701321 1113625651 /nfs/dbraw/zinc/62/56/51/1113625651.db2.gz RYZKUMNHYOBPAC-UHFFFAOYSA-N 1 2 364.424 4.082 20 30 FIEDLO COc1ncccc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000488214266 1113879531 /nfs/dbraw/zinc/87/95/31/1113879531.db2.gz UTWIDUVXQJMGFQ-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO COc1ncccc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000488214266 1113879534 /nfs/dbraw/zinc/87/95/34/1113879534.db2.gz UTWIDUVXQJMGFQ-UHFFFAOYSA-N 1 2 361.420 4.303 20 30 FIEDLO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490083966 1114216561 /nfs/dbraw/zinc/21/65/61/1114216561.db2.gz VGXOQWQORXQQHA-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(=O)Nc1ccccc1C ZINC000490083966 1114216566 /nfs/dbraw/zinc/21/65/66/1114216566.db2.gz VGXOQWQORXQQHA-MRXNPFEDSA-N 1 2 353.441 4.245 20 30 FIEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000490242569 1114250510 /nfs/dbraw/zinc/25/05/10/1114250510.db2.gz JRUBEWOGUPGQGC-PXNSSMCTSA-N 1 2 354.519 4.313 20 30 FIEDLO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC001168381174 1114507078 /nfs/dbraw/zinc/50/70/78/1114507078.db2.gz CHGXVISTVRJZQI-OAQYLSRUSA-N 1 2 364.395 4.327 20 30 FIEDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000588978515 1114683918 /nfs/dbraw/zinc/68/39/18/1114683918.db2.gz GKVXZVWOEXODRA-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000588978515 1114683921 /nfs/dbraw/zinc/68/39/21/1114683921.db2.gz GKVXZVWOEXODRA-UHFFFAOYSA-N 1 2 358.283 4.019 20 30 FIEDLO COc1ccccc1C1([NH2+]Cc2ccc(Br)cc2C#N)CC1 ZINC000592145189 1115208585 /nfs/dbraw/zinc/20/85/85/1115208585.db2.gz QVFRFWTXKHRGFU-UHFFFAOYSA-N 1 2 357.251 4.108 20 30 FIEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000592523578 1115240608 /nfs/dbraw/zinc/24/06/08/1115240608.db2.gz OIZQCHIERFSHSV-VGSWGCGISA-N 1 2 368.452 4.470 20 30 FIEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000592523578 1115240612 /nfs/dbraw/zinc/24/06/12/1115240612.db2.gz OIZQCHIERFSHSV-VGSWGCGISA-N 1 2 368.452 4.470 20 30 FIEDLO C=C1CC[NH+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000594754327 1115481101 /nfs/dbraw/zinc/48/11/01/1115481101.db2.gz GZITZDOQLDVBGE-NRFANRHFSA-N 1 2 350.462 4.335 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616145 1115553597 /nfs/dbraw/zinc/55/35/97/1115553597.db2.gz QMCHXYACBISOHJ-QZTJIDSGSA-N 1 2 363.461 4.432 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616145 1115553601 /nfs/dbraw/zinc/55/36/01/1115553601.db2.gz QMCHXYACBISOHJ-QZTJIDSGSA-N 1 2 363.461 4.432 20 30 FIEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F ZINC000595686213 1115554393 /nfs/dbraw/zinc/55/43/93/1115554393.db2.gz SSCXRRBJGLTXMU-IBGZPJMESA-N 1 2 350.397 4.234 20 30 FIEDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597017837 1115634591 /nfs/dbraw/zinc/63/45/91/1115634591.db2.gz XAWDCGCPRXKNSU-UHFFFAOYSA-N 1 2 356.473 4.119 20 30 FIEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597017837 1115634594 /nfs/dbraw/zinc/63/45/94/1115634594.db2.gz XAWDCGCPRXKNSU-UHFFFAOYSA-N 1 2 356.473 4.119 20 30 FIEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000599351958 1115809896 /nfs/dbraw/zinc/80/98/96/1115809896.db2.gz LWVQANIMITZDRC-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1C#N ZINC000599351958 1115809898 /nfs/dbraw/zinc/80/98/98/1115809898.db2.gz LWVQANIMITZDRC-IBGZPJMESA-N 1 2 358.388 4.042 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000173483685 1116071107 /nfs/dbraw/zinc/07/11/07/1116071107.db2.gz VFQVHTNQNMQXMB-GJZGRUSLSA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000173483685 1116071109 /nfs/dbraw/zinc/07/11/09/1116071109.db2.gz VFQVHTNQNMQXMB-GJZGRUSLSA-N 1 2 352.573 4.041 20 30 FIEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccccc1 ZINC000534519213 1116209008 /nfs/dbraw/zinc/20/90/08/1116209008.db2.gz JVXKIYZULPJDTD-UHFFFAOYSA-N 1 2 352.463 4.135 20 30 FIEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1C#N ZINC000442886451 1116325459 /nfs/dbraw/zinc/32/54/59/1116325459.db2.gz RQOROVLHCAXKKY-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1C#N ZINC000442886451 1116325462 /nfs/dbraw/zinc/32/54/62/1116325462.db2.gz RQOROVLHCAXKKY-LJQANCHMSA-N 1 2 374.444 4.344 20 30 FIEDLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1C#N ZINC000443067147 1116339049 /nfs/dbraw/zinc/33/90/49/1116339049.db2.gz LHKIVSOQEWNSNU-SFHVURJKSA-N 1 2 366.852 4.434 20 30 FIEDLO COc1cc(C[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1C#N ZINC000443067147 1116339051 /nfs/dbraw/zinc/33/90/51/1116339051.db2.gz LHKIVSOQEWNSNU-SFHVURJKSA-N 1 2 366.852 4.434 20 30 FIEDLO CC#CCCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000462390689 1116343410 /nfs/dbraw/zinc/34/34/10/1116343410.db2.gz CEYYNSRIDTYLMX-QGZVFWFLSA-N 1 2 354.523 4.320 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000539863226 1116392630 /nfs/dbraw/zinc/39/26/30/1116392630.db2.gz KHQPECSUZXKODT-MRXNPFEDSA-N 1 2 366.509 4.438 20 30 FIEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000539863226 1116392633 /nfs/dbraw/zinc/39/26/33/1116392633.db2.gz KHQPECSUZXKODT-MRXNPFEDSA-N 1 2 366.509 4.438 20 30 FIEDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000540351671 1117997623 /nfs/dbraw/zinc/99/76/23/1117997623.db2.gz LOGFZMHGRBTIJN-GOSISDBHSA-N 1 2 362.433 4.248 20 30 FIEDLO COc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2ccccc2)cc1Br ZINC000540550356 1118122064 /nfs/dbraw/zinc/12/20/64/1118122064.db2.gz VYOZLEIEDAJWNX-SFHVURJKSA-N 1 2 371.278 4.440 20 30 FIEDLO COc1cccc(Cn2c(NCc3ccc(C#N)s3)[nH+]c3ccccc32)c1 ZINC000460659368 1118907258 /nfs/dbraw/zinc/90/72/58/1118907258.db2.gz WYDGSJXZNBCISA-UHFFFAOYSA-N 1 2 374.469 4.060 20 30 FIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1c(F)cccc1F ZINC000492720757 1119172164 /nfs/dbraw/zinc/17/21/64/1119172164.db2.gz IKFDDAPTEYAHAM-JTQLQIEISA-N 1 2 351.194 4.450 20 30 FIEDLO Cc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)ccc1C#N ZINC000444001286 1119178661 /nfs/dbraw/zinc/17/86/61/1119178661.db2.gz XUJOOKWXSSUTSI-FQEVSTJZSA-N 1 2 350.853 4.133 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000493496451 1119472844 /nfs/dbraw/zinc/47/28/44/1119472844.db2.gz CCUCNKHRIHUXGT-UHFFFAOYSA-N 1 2 371.824 4.163 20 30 FIEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000183758665 1119582132 /nfs/dbraw/zinc/58/21/32/1119582132.db2.gz ORUZTLLLQSNEBO-MRXNPFEDSA-N 1 2 371.506 4.224 20 30 FIEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761761427 1120356755 /nfs/dbraw/zinc/35/67/55/1120356755.db2.gz ZEAWNHCQEGRYRB-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761761427 1120356758 /nfs/dbraw/zinc/35/67/58/1120356758.db2.gz ZEAWNHCQEGRYRB-KUHUBIRLSA-N 1 2 358.388 4.294 20 30 FIEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000237351898 1120976150 /nfs/dbraw/zinc/97/61/50/1120976150.db2.gz JODTUQBGCKVHNH-OAHLLOKOSA-N 1 2 365.433 4.161 20 30 FIEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000763238938 1121299734 /nfs/dbraw/zinc/29/97/34/1121299734.db2.gz CRQYNLSYAIMTTJ-JOCHJYFZSA-N 1 2 371.488 4.338 20 30 FIEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000763238938 1121299738 /nfs/dbraw/zinc/29/97/38/1121299738.db2.gz CRQYNLSYAIMTTJ-JOCHJYFZSA-N 1 2 371.488 4.338 20 30 FIEDLO N#Cc1ccc(Oc2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)cc1 ZINC001212366333 1121362158 /nfs/dbraw/zinc/36/21/58/1121362158.db2.gz LBTTZWUGSYZFMF-UHFFFAOYSA-N 1 2 372.428 4.326 20 30 FIEDLO C[N@H+](CCCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000917114686 1122163029 /nfs/dbraw/zinc/16/30/29/1122163029.db2.gz GUIKCICOQWBWJH-QGZVFWFLSA-N 1 2 363.486 4.037 20 30 FIEDLO C[N@@H+](CCCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000917114686 1122163032 /nfs/dbraw/zinc/16/30/32/1122163032.db2.gz GUIKCICOQWBWJH-QGZVFWFLSA-N 1 2 363.486 4.037 20 30 FIEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)CCc2ccccc2)c1=S ZINC000917467981 1122328549 /nfs/dbraw/zinc/32/85/49/1122328549.db2.gz AZSNZXVLGDVIHU-UHFFFAOYSA-N 1 2 368.506 4.382 20 30 FIEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)CCc2ccccc2)c1=S ZINC000917467981 1122328555 /nfs/dbraw/zinc/32/85/55/1122328555.db2.gz AZSNZXVLGDVIHU-UHFFFAOYSA-N 1 2 368.506 4.382 20 30 FIEDLO CC(=[NH+]Nc1[nH]cnc2ncnc1-2)c1ccc2c(c1)Nc1ccccc1S2 ZINC000917555955 1122359750 /nfs/dbraw/zinc/35/97/50/1122359750.db2.gz QXLOQIOJLAKLHI-UHFFFAOYSA-N 1 2 373.445 4.397 20 30 FIEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000129113153 1122537491 /nfs/dbraw/zinc/53/74/91/1122537491.db2.gz AQYOXYGAZXASMB-ZWKOTPCHSA-N 1 2 354.519 4.313 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000194960374 1123054813 /nfs/dbraw/zinc/05/48/13/1123054813.db2.gz IBMHNRREYNIIJD-UHFFFAOYSA-N 1 2 374.444 4.172 20 30 FIEDLO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000194960374 1123054818 /nfs/dbraw/zinc/05/48/18/1123054818.db2.gz IBMHNRREYNIIJD-UHFFFAOYSA-N 1 2 374.444 4.172 20 30 FIEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212253591 1123610071 /nfs/dbraw/zinc/61/00/71/1123610071.db2.gz MUHZGTNDBAPYFE-UHFFFAOYSA-N 1 2 359.433 4.137 20 30 FIEDLO CCCCn1c(SCC#Cc2ccc(F)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000135233901 1123728162 /nfs/dbraw/zinc/72/81/62/1123728162.db2.gz HQFMIGVCOHBOAQ-SFHVURJKSA-N 1 2 374.529 4.374 20 30 FIEDLO CC(C)[C@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609701203 1123801354 /nfs/dbraw/zinc/80/13/54/1123801354.db2.gz HULKLFRJTZBKEC-QFIPXVFZSA-N 1 2 367.537 4.055 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C#N ZINC000615806906 1124124162 /nfs/dbraw/zinc/12/41/62/1124124162.db2.gz LCSDABKVMLLUHJ-QGZVFWFLSA-N 1 2 362.399 4.215 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C#N ZINC000615806906 1124124163 /nfs/dbraw/zinc/12/41/63/1124124163.db2.gz LCSDABKVMLLUHJ-QGZVFWFLSA-N 1 2 362.399 4.215 20 30 FIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301362637 1124222462 /nfs/dbraw/zinc/22/24/62/1124222462.db2.gz QUJMCKYFRVYKQQ-UHFFFAOYSA-N 1 2 363.852 4.367 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3c(Cl)cccc3C#N)CC2)cc1 ZINC000301469408 1124232444 /nfs/dbraw/zinc/23/24/44/1124232444.db2.gz RWUYPOCGBSXALR-UHFFFAOYSA-N 1 2 354.885 4.359 20 30 FIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Br)c1 ZINC000301849395 1124264594 /nfs/dbraw/zinc/26/45/94/1124264594.db2.gz DENKOGOAMDYDDK-UHFFFAOYSA-N 1 2 371.213 4.258 20 30 FIEDLO C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301970290 1124273756 /nfs/dbraw/zinc/27/37/56/1124273756.db2.gz DHWSDXVDYPKAAU-CHWSQXEVSA-N 1 2 371.268 4.318 20 30 FIEDLO C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301970290 1124273758 /nfs/dbraw/zinc/27/37/58/1124273758.db2.gz DHWSDXVDYPKAAU-CHWSQXEVSA-N 1 2 371.268 4.318 20 30 FIEDLO COCC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000063753858 1124947916 /nfs/dbraw/zinc/94/79/16/1124947916.db2.gz HIOSDMNMWGMDKX-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO COCC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc(C#N)cc1 ZINC000063753858 1124947919 /nfs/dbraw/zinc/94/79/19/1124947919.db2.gz HIOSDMNMWGMDKX-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000618453258 1125184675 /nfs/dbraw/zinc/18/46/75/1125184675.db2.gz WIRAKIPSEUYNJM-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000618453258 1125184679 /nfs/dbraw/zinc/18/46/79/1125184679.db2.gz WIRAKIPSEUYNJM-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000602652473 568005567 /nfs/dbraw/zinc/00/55/67/568005567.db2.gz LMKUZVQDYQAESU-UHFFFAOYSA-N 1 2 361.276 4.028 20 30 FIEDLO Cc1cc([C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CCO2)ccc1F ZINC000093637479 1125463218 /nfs/dbraw/zinc/46/32/18/1125463218.db2.gz VFOZMFSXXWFTRY-QFIPXVFZSA-N 1 2 368.452 4.390 20 30 FIEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CCO2)ccc1F ZINC000093637479 1125463282 /nfs/dbraw/zinc/46/32/82/1125463282.db2.gz VFOZMFSXXWFTRY-QFIPXVFZSA-N 1 2 368.452 4.390 20 30 FIEDLO N#Cc1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c(F)c1 ZINC000619715288 1125667632 /nfs/dbraw/zinc/66/76/32/1125667632.db2.gz XGMZBHLJWWOJCT-UHFFFAOYSA-N 1 2 355.157 4.028 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cccc(C#N)c1 ZINC000063300412 1080248059 /nfs/dbraw/zinc/24/80/59/1080248059.db2.gz HPGJWRCKYOLEOX-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cccc(C#N)c1 ZINC000063300412 1080248066 /nfs/dbraw/zinc/24/80/66/1080248066.db2.gz HPGJWRCKYOLEOX-UHFFFAOYSA-N 1 2 353.853 4.147 20 30 FIEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c(Br)c1 ZINC000134599517 1080313167 /nfs/dbraw/zinc/31/31/67/1080313167.db2.gz ARYJRWUQDCQYPN-UHFFFAOYSA-N 1 2 367.250 4.178 20 30 FIEDLO C=CCSCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000180217934 1080466954 /nfs/dbraw/zinc/46/69/54/1080466954.db2.gz DPCHWPOIACIISJ-GOSISDBHSA-N 1 2 351.475 4.335 20 30 FIEDLO Cc1cn2cc(NC(=O)N3CCC[C@H](c4nc(C)c(C)s4)C3)ccc2[nH+]1 ZINC000328622758 1080667092 /nfs/dbraw/zinc/66/70/92/1080667092.db2.gz YKXGPNXMSIRMHX-HNNXBMFYSA-N 1 2 369.494 4.141 20 30 FIEDLO C[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1cccc(Br)c1 ZINC000093100685 1082444177 /nfs/dbraw/zinc/44/41/77/1082444177.db2.gz JSFCAWDBZVHAKQ-OAHLLOKOSA-N 1 2 358.283 4.363 20 30 FIEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1cccc(Br)c1 ZINC000093100685 1082444181 /nfs/dbraw/zinc/44/41/81/1082444181.db2.gz JSFCAWDBZVHAKQ-OAHLLOKOSA-N 1 2 358.283 4.363 20 30 FIEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1C#N ZINC000430769286 1083162678 /nfs/dbraw/zinc/16/26/78/1083162678.db2.gz TVTGAHSAXCNLIA-QGZVFWFLSA-N 1 2 362.246 4.135 20 30 FIEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1C#N ZINC000430769286 1083162681 /nfs/dbraw/zinc/16/26/81/1083162681.db2.gz TVTGAHSAXCNLIA-QGZVFWFLSA-N 1 2 362.246 4.135 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nccn2CC)cc1OC ZINC000430882214 1083219545 /nfs/dbraw/zinc/21/95/45/1083219545.db2.gz IOPKCUYGUHUPMY-SFHVURJKSA-N 1 2 355.482 4.204 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nccn2CC)cc1OC ZINC000430882214 1083219547 /nfs/dbraw/zinc/21/95/47/1083219547.db2.gz IOPKCUYGUHUPMY-SFHVURJKSA-N 1 2 355.482 4.204 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000179668445 1083591685 /nfs/dbraw/zinc/59/16/85/1083591685.db2.gz ONYCUOFMCZJEAY-UHFFFAOYSA-N 1 2 350.809 4.041 20 30 FIEDLO COc1cccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2ccccc2Cl)c1 ZINC000610956892 1083882158 /nfs/dbraw/zinc/88/21/58/1083882158.db2.gz WAWNDSIDGMHONG-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000431681855 1084060985 /nfs/dbraw/zinc/06/09/85/1084060985.db2.gz ZVLHTFHSOVYCRH-UHFFFAOYSA-N 1 2 355.507 4.242 20 30 FIEDLO C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000431681855 1084060998 /nfs/dbraw/zinc/06/09/98/1084060998.db2.gz ZVLHTFHSOVYCRH-UHFFFAOYSA-N 1 2 355.507 4.242 20 30 FIEDLO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc(C#N)c1 ZINC000613127598 1084371266 /nfs/dbraw/zinc/37/12/66/1084371266.db2.gz JGPHCHDVYRFVPP-ZDUSSCGKSA-N 1 2 364.474 4.399 20 30 FIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1F ZINC000127512922 1084929718 /nfs/dbraw/zinc/92/97/18/1084929718.db2.gz AAGWRZNFDLLIMH-ZIAGYGMSSA-N 1 2 350.397 4.468 20 30 FIEDLO N#CCSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000175705216 1084991412 /nfs/dbraw/zinc/99/14/12/1084991412.db2.gz LJACYSZJDQAFBC-UHFFFAOYSA-N 1 2 368.849 4.394 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000127734171 1085059895 /nfs/dbraw/zinc/05/98/95/1085059895.db2.gz RIAIHGPRALKKMK-NSHDSACASA-N 1 2 363.820 4.020 20 30 FIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000127734171 1085059900 /nfs/dbraw/zinc/05/99/00/1085059900.db2.gz RIAIHGPRALKKMK-NSHDSACASA-N 1 2 363.820 4.020 20 30 FIEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)sc1Cl)C2 ZINC001140587676 1085462679 /nfs/dbraw/zinc/46/26/79/1085462679.db2.gz KKDUWBPMRQIDCF-XJKSGUPXSA-N 1 2 362.322 4.381 20 30 FIEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)sc1Cl)C2 ZINC001140587676 1085462683 /nfs/dbraw/zinc/46/26/83/1085462683.db2.gz KKDUWBPMRQIDCF-XJKSGUPXSA-N 1 2 362.322 4.381 20 30 FIEDLO C=CC[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@H](C)COC ZINC000661243396 1085478510 /nfs/dbraw/zinc/47/85/10/1085478510.db2.gz JVVXQWJAYSXWGH-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C=CC[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@H](C)COC ZINC000661243396 1085478515 /nfs/dbraw/zinc/47/85/15/1085478515.db2.gz JVVXQWJAYSXWGH-CYBMUJFWSA-N 1 2 365.271 4.127 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000046528806 1085713378 /nfs/dbraw/zinc/71/33/78/1085713378.db2.gz RHLIUZFDISVIRZ-QFIPXVFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000046528806 1085713386 /nfs/dbraw/zinc/71/33/86/1085713386.db2.gz RHLIUZFDISVIRZ-QFIPXVFZSA-N 1 2 355.441 4.370 20 30 FIEDLO COC(=O)c1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1C#N ZINC000582957671 1085963439 /nfs/dbraw/zinc/96/34/39/1085963439.db2.gz JCJJKTFRIHOFHT-UHFFFAOYSA-N 1 2 370.399 4.003 20 30 FIEDLO N#Cc1ccncc1NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000094155473 1086541758 /nfs/dbraw/zinc/54/17/58/1086541758.db2.gz PYSOGKWZTMIGBB-UHFFFAOYSA-N 1 2 365.440 4.477 20 30 FIEDLO C[C@H](Sc1ccccc1)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583317891 1086558411 /nfs/dbraw/zinc/55/84/11/1086558411.db2.gz DFLQOAGGKAXTHG-PXNSSMCTSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@H](Sc1ccccc1)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583317891 1086558422 /nfs/dbraw/zinc/55/84/22/1086558422.db2.gz DFLQOAGGKAXTHG-PXNSSMCTSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@@H](Sc1ccccc1)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583317892 1086558626 /nfs/dbraw/zinc/55/86/26/1086558626.db2.gz DFLQOAGGKAXTHG-XLIONFOSSA-N 1 2 369.534 4.158 20 30 FIEDLO C[C@@H](Sc1ccccc1)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583317892 1086558636 /nfs/dbraw/zinc/55/86/36/1086558636.db2.gz DFLQOAGGKAXTHG-XLIONFOSSA-N 1 2 369.534 4.158 20 30 FIEDLO Cc1cccc2c1ncc(C#N)c2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000611932079 1087589598 /nfs/dbraw/zinc/58/95/98/1087589598.db2.gz CSNWVLBYSVYSFL-UHFFFAOYSA-N 1 2 359.477 4.308 20 30 FIEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000329894064 1087673165 /nfs/dbraw/zinc/67/31/65/1087673165.db2.gz BAQMJSHKDWQYGI-APWZRJJASA-N 1 2 371.387 4.164 20 30 FIEDLO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000329894064 1087673169 /nfs/dbraw/zinc/67/31/69/1087673169.db2.gz BAQMJSHKDWQYGI-APWZRJJASA-N 1 2 371.387 4.164 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OCC(F)(F)F ZINC000434990314 1089189087 /nfs/dbraw/zinc/18/90/87/1089189087.db2.gz GRKDROOVEJEATI-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1OCC(F)(F)F ZINC000434990314 1089189092 /nfs/dbraw/zinc/18/90/92/1089189092.db2.gz GRKDROOVEJEATI-UHFFFAOYSA-N 1 2 352.331 4.270 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH+]c12 ZINC000066801628 1090227763 /nfs/dbraw/zinc/22/77/63/1090227763.db2.gz LJRFOUOWAWADSY-HNNXBMFYSA-N 1 2 364.474 4.218 20 30 FIEDLO C=CC(C)(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001125893974 1090567987 /nfs/dbraw/zinc/56/79/87/1090567987.db2.gz ZGSDYAXJEQEMBB-UHFFFAOYSA-N 1 2 359.473 4.427 20 30 FIEDLO C=C(C)C[N@@H+](Cc1csc(Br)c1)Cc1ccc(CO)o1 ZINC000512195143 1091878092 /nfs/dbraw/zinc/87/80/92/1091878092.db2.gz KQVZGNJDXNBZMO-UHFFFAOYSA-N 1 2 356.285 4.174 20 30 FIEDLO C=C(C)C[N@H+](Cc1csc(Br)c1)Cc1ccc(CO)o1 ZINC000512195143 1091878100 /nfs/dbraw/zinc/87/81/00/1091878100.db2.gz KQVZGNJDXNBZMO-UHFFFAOYSA-N 1 2 356.285 4.174 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000512547235 1092901854 /nfs/dbraw/zinc/90/18/54/1092901854.db2.gz KWEZIRVUARODEX-GOSISDBHSA-N 1 2 368.525 4.432 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000512547235 1092901857 /nfs/dbraw/zinc/90/18/57/1092901857.db2.gz KWEZIRVUARODEX-GOSISDBHSA-N 1 2 368.525 4.432 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000512560174 1092937324 /nfs/dbraw/zinc/93/73/24/1092937324.db2.gz CFBHXODLDQCOJW-SFHVURJKSA-N 1 2 368.525 4.432 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000512560174 1092937330 /nfs/dbraw/zinc/93/73/30/1092937330.db2.gz CFBHXODLDQCOJW-SFHVURJKSA-N 1 2 368.525 4.432 20 30 FIEDLO Cc1ccccc1Cc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433010190 1093098185 /nfs/dbraw/zinc/09/81/85/1093098185.db2.gz BBBLIYHWUZRGED-HXUWFJFHSA-N 1 2 360.461 4.494 20 30 FIEDLO N#Cc1ccc(C(F)(F)F)c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000512902601 1093524743 /nfs/dbraw/zinc/52/47/43/1093524743.db2.gz QCCBPIBQUXKBSQ-UHFFFAOYSA-N 1 2 362.399 4.470 20 30 FIEDLO FC(F)(F)c1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000433345149 1093600070 /nfs/dbraw/zinc/60/00/70/1093600070.db2.gz WCGYVNJVWDVAJX-UHFFFAOYSA-N 1 2 364.314 4.322 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)cc1 ZINC000614351613 1093719956 /nfs/dbraw/zinc/71/99/56/1093719956.db2.gz QRYBXKKTFRAUOR-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)cc1 ZINC000614351613 1093719962 /nfs/dbraw/zinc/71/99/62/1093719962.db2.gz QRYBXKKTFRAUOR-UHFFFAOYSA-N 1 2 358.869 4.284 20 30 FIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000729266651 1093954627 /nfs/dbraw/zinc/95/46/27/1093954627.db2.gz ADXFBEHCVMXVNX-KRWDZBQOSA-N 1 2 369.896 4.121 20 30 FIEDLO C=C(C)CN(CC)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501032964 1094431116 /nfs/dbraw/zinc/43/11/16/1094431116.db2.gz QJRJJIVEQZWMLD-KRWDZBQOSA-N 1 2 367.896 4.224 20 30 FIEDLO Fc1cc(F)c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(F)c1F ZINC000430036100 1094568827 /nfs/dbraw/zinc/56/88/27/1094568827.db2.gz QZFRWXRKRLUSHQ-UHFFFAOYSA-N 1 2 353.237 4.431 20 30 FIEDLO N#CC1(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC000501527877 1094754511 /nfs/dbraw/zinc/75/45/11/1094754511.db2.gz NMPSMTFHFAOWCK-NRFANRHFSA-N 1 2 365.908 4.351 20 30 FIEDLO [O-]C(=[NH+]CC1(Cc2ccccc2)CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329271241 1094811391 /nfs/dbraw/zinc/81/13/91/1094811391.db2.gz HXODBUZBUHPGEK-LJQANCHMSA-N 1 2 366.509 4.306 20 30 FIEDLO O=C(NCC1(Cc2ccccc2)CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329271241 1094811402 /nfs/dbraw/zinc/81/14/02/1094811402.db2.gz HXODBUZBUHPGEK-LJQANCHMSA-N 1 2 366.509 4.306 20 30 FIEDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329307476 1094829927 /nfs/dbraw/zinc/82/99/27/1094829927.db2.gz YIEJAAFOIFTDSB-MRXNPFEDSA-N 1 2 374.872 4.070 20 30 FIEDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329307476 1094829945 /nfs/dbraw/zinc/82/99/45/1094829945.db2.gz YIEJAAFOIFTDSB-MRXNPFEDSA-N 1 2 374.872 4.070 20 30 FIEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329321611 1094841317 /nfs/dbraw/zinc/84/13/17/1094841317.db2.gz RPTCUPQMYFLRKI-SFHVURJKSA-N 1 2 371.525 4.086 20 30 FIEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000329321611 1094841333 /nfs/dbraw/zinc/84/13/33/1094841333.db2.gz RPTCUPQMYFLRKI-SFHVURJKSA-N 1 2 371.525 4.086 20 30 FIEDLO Cc1cn2cc(NC(=O)N3CCCCC[C@H]3c3c(C)n[nH]c3C)ccc2[nH+]1 ZINC000329477329 1094925977 /nfs/dbraw/zinc/92/59/77/1094925977.db2.gz ULIRKADPJZYHKX-KRWDZBQOSA-N 1 2 366.469 4.145 20 30 FIEDLO C[C@H]1CCN(C([O-])=[NH+]c2nc3c(s2)CCCC3(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000329562227 1094974839 /nfs/dbraw/zinc/97/48/39/1094974839.db2.gz JMIWKJNEUOSOPH-KBPBESRZSA-N 1 2 373.526 4.082 20 30 FIEDLO CC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000329613477 1095002197 /nfs/dbraw/zinc/00/21/97/1095002197.db2.gz OVIXRSZHBVNGLU-UHFFFAOYSA-N 1 2 358.530 4.283 20 30 FIEDLO C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H]1C ZINC000329619623 1095008380 /nfs/dbraw/zinc/00/83/80/1095008380.db2.gz MHJJLIUSWBYNRH-CVEARBPZSA-N 1 2 352.482 4.410 20 30 FIEDLO C[C@@H]1SCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1C ZINC000329630249 1095031665 /nfs/dbraw/zinc/03/16/65/1095031665.db2.gz QRSNKKYLWDAHQA-GJZGRUSLSA-N 1 2 370.522 4.258 20 30 FIEDLO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000329784921 1095265125 /nfs/dbraw/zinc/26/51/25/1095265125.db2.gz WMWWKFIRBAUMLJ-HZPDHXFCSA-N 1 2 372.538 4.072 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329830647 1095285378 /nfs/dbraw/zinc/28/53/78/1095285378.db2.gz JVXUZMJRZWYRFM-OAUYIBNBSA-N 1 2 361.873 4.078 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329830647 1095285397 /nfs/dbraw/zinc/28/53/97/1095285397.db2.gz JVXUZMJRZWYRFM-OAUYIBNBSA-N 1 2 361.873 4.078 20 30 FIEDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000329848370 1095291851 /nfs/dbraw/zinc/29/18/51/1095291851.db2.gz YZRYPHRYHGHPJG-MLGOLLRUSA-N 1 2 363.552 4.158 20 30 FIEDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCS1 ZINC000329848370 1095291869 /nfs/dbraw/zinc/29/18/69/1095291869.db2.gz YZRYPHRYHGHPJG-MLGOLLRUSA-N 1 2 363.552 4.158 20 30 FIEDLO Cc1ccc(-c2cnc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)s2)c(C)c1 ZINC000329932807 1095318512 /nfs/dbraw/zinc/31/85/12/1095318512.db2.gz BCTPJKZAEALLTD-AWEZNQCLSA-N 1 2 352.463 4.474 20 30 FIEDLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330143323 1095392074 /nfs/dbraw/zinc/39/20/74/1095392074.db2.gz YTZGPPSQECPGCC-JEEBJRHZSA-N 1 2 374.525 4.143 20 30 FIEDLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330143323 1095392084 /nfs/dbraw/zinc/39/20/84/1095392084.db2.gz YTZGPPSQECPGCC-JEEBJRHZSA-N 1 2 374.525 4.143 20 30 FIEDLO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330248165 1095433203 /nfs/dbraw/zinc/43/32/03/1095433203.db2.gz ZFGLQYNCCAZMCM-CYBMUJFWSA-N 1 2 360.408 4.002 20 30 FIEDLO CC(C)c1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330279076 1095446758 /nfs/dbraw/zinc/44/67/58/1095446758.db2.gz QMEGYZZAGWHXJF-UXHICEINSA-N 1 2 366.509 4.463 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000330283240 1095448040 /nfs/dbraw/zinc/44/80/40/1095448040.db2.gz BFAOOQHHWXGZIF-XAOQTRLZSA-N 1 2 357.498 4.203 20 30 FIEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000330321511 1095506969 /nfs/dbraw/zinc/50/69/69/1095506969.db2.gz GAFLCAADIYLUOL-QKLQHJQFSA-N 1 2 353.466 4.107 20 30 FIEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529928 1095544448 /nfs/dbraw/zinc/54/44/48/1095544448.db2.gz PYODDFOLYNMPPV-MRXNPFEDSA-N 1 2 363.436 4.122 20 30 FIEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529928 1095544452 /nfs/dbraw/zinc/54/44/52/1095544452.db2.gz PYODDFOLYNMPPV-MRXNPFEDSA-N 1 2 363.436 4.122 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000027775116 1095649213 /nfs/dbraw/zinc/64/92/13/1095649213.db2.gz KRGYSPVLRWDDQI-UHFFFAOYSA-N 1 2 359.267 4.076 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000027775116 1095649216 /nfs/dbraw/zinc/64/92/16/1095649216.db2.gz KRGYSPVLRWDDQI-UHFFFAOYSA-N 1 2 359.267 4.076 20 30 FIEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272613954 1096196964 /nfs/dbraw/zinc/19/69/64/1096196964.db2.gz STNFIZLDIQGWOZ-LBPRGKRZSA-N 1 2 364.371 4.442 20 30 FIEDLO C=CCOc1cccnc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436186080 1098793437 /nfs/dbraw/zinc/79/34/37/1098793437.db2.gz FVUCXNKYQFFZTE-UHFFFAOYSA-N 1 2 374.444 4.099 20 30 FIEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000505810407 1098982932 /nfs/dbraw/zinc/98/29/32/1098982932.db2.gz ZOTVISOUTZOMMR-HXUWFJFHSA-N 1 2 358.445 4.164 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505835442 1099053901 /nfs/dbraw/zinc/05/39/01/1099053901.db2.gz XRVZRVDDPIIGMS-ZGKFYVQTSA-N 1 2 365.502 4.353 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505835442 1099053913 /nfs/dbraw/zinc/05/39/13/1099053913.db2.gz XRVZRVDDPIIGMS-ZGKFYVQTSA-N 1 2 365.502 4.353 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000533487494 1099108063 /nfs/dbraw/zinc/10/80/63/1099108063.db2.gz NIBHATKRLIWPIB-CRAIPNDOSA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000533487494 1099108066 /nfs/dbraw/zinc/10/80/66/1099108066.db2.gz NIBHATKRLIWPIB-CRAIPNDOSA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533487499 1099109397 /nfs/dbraw/zinc/10/93/97/1099109397.db2.gz NIBHATKRLIWPIB-YJBOKZPZSA-N 1 2 368.506 4.042 20 30 FIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533487499 1099109407 /nfs/dbraw/zinc/10/94/07/1099109407.db2.gz NIBHATKRLIWPIB-YJBOKZPZSA-N 1 2 368.506 4.042 20 30 FIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000161517351 1099503234 /nfs/dbraw/zinc/50/32/34/1099503234.db2.gz XCSVDRIOHDSWGU-HNNXBMFYSA-N 1 2 366.440 4.130 20 30 FIEDLO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)C(C)C ZINC000533786431 1099934603 /nfs/dbraw/zinc/93/46/03/1099934603.db2.gz RKPZVDJEZRTUPA-ZIAGYGMSSA-N 1 2 372.376 4.255 20 30 FIEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668945 1100149111 /nfs/dbraw/zinc/14/91/11/1100149111.db2.gz SZCLMBCRQSTZHN-XZOQPEGZSA-N 1 2 356.473 4.453 20 30 FIEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1-c1ccccc1 ZINC000536668945 1100149121 /nfs/dbraw/zinc/14/91/21/1100149121.db2.gz SZCLMBCRQSTZHN-XZOQPEGZSA-N 1 2 356.473 4.453 20 30 FIEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459500883 1100236964 /nfs/dbraw/zinc/23/69/64/1100236964.db2.gz DITREMUCJIXIAL-SFHVURJKSA-N 1 2 359.788 4.500 20 30 FIEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475347 1101234430 /nfs/dbraw/zinc/23/44/30/1101234430.db2.gz IRSWZFVPULMFOH-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475347 1101234432 /nfs/dbraw/zinc/23/44/32/1101234432.db2.gz IRSWZFVPULMFOH-ZWKOTPCHSA-N 1 2 365.235 4.094 20 30 FIEDLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001142538071 1102176278 /nfs/dbraw/zinc/17/62/78/1102176278.db2.gz BAZVXEHWASRIND-LLVKDONJSA-N 1 2 364.692 4.478 20 30 FIEDLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001142538071 1102176288 /nfs/dbraw/zinc/17/62/88/1102176288.db2.gz BAZVXEHWASRIND-LLVKDONJSA-N 1 2 364.692 4.478 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000237877039 1102202375 /nfs/dbraw/zinc/20/23/75/1102202375.db2.gz HGKPDYCPBJVFSJ-JOCHJYFZSA-N 1 2 352.441 4.324 20 30 FIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)c1 ZINC000104713850 1102368410 /nfs/dbraw/zinc/36/84/10/1102368410.db2.gz QFAYSSPEBMNDAR-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c1C ZINC000302913797 1102422861 /nfs/dbraw/zinc/42/28/61/1102422861.db2.gz UIFCEUFVXAXBNE-UHFFFAOYSA-N 1 2 366.505 4.155 20 30 FIEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccn1 ZINC000124042528 1102641264 /nfs/dbraw/zinc/64/12/64/1102641264.db2.gz UWTWXOUKEMFTSQ-GAJHUEQPSA-N 1 2 373.456 4.260 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670256 1102685518 /nfs/dbraw/zinc/68/55/18/1102685518.db2.gz WGAQIRSJFRWUDO-SJLPKXTDSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000476670256 1102685525 /nfs/dbraw/zinc/68/55/25/1102685525.db2.gz WGAQIRSJFRWUDO-SJLPKXTDSA-N 1 2 366.427 4.102 20 30 FIEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000537650067 1102697329 /nfs/dbraw/zinc/69/73/29/1102697329.db2.gz AUWNBKKGELEZAB-MGPUTAFESA-N 1 2 359.491 4.284 20 30 FIEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1OC ZINC000537650067 1102697332 /nfs/dbraw/zinc/69/73/32/1102697332.db2.gz AUWNBKKGELEZAB-MGPUTAFESA-N 1 2 359.491 4.284 20 30 FIEDLO Cc1cc(C)cc(C2=CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000537686632 1102852325 /nfs/dbraw/zinc/85/23/25/1102852325.db2.gz IQRNZDTZNKOJIA-GOSISDBHSA-N 1 2 359.473 4.291 20 30 FIEDLO Cc1cc(C)cc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000537686632 1102852341 /nfs/dbraw/zinc/85/23/41/1102852341.db2.gz IQRNZDTZNKOJIA-GOSISDBHSA-N 1 2 359.473 4.291 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760539631 1102969875 /nfs/dbraw/zinc/96/98/75/1102969875.db2.gz XADJZGRJZVCKFH-UHFFFAOYSA-N 1 2 357.527 4.132 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760539631 1102969877 /nfs/dbraw/zinc/96/98/77/1102969877.db2.gz XADJZGRJZVCKFH-UHFFFAOYSA-N 1 2 357.527 4.132 20 30 FIEDLO N#CCOc1ccccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194335212 1103062374 /nfs/dbraw/zinc/06/23/74/1103062374.db2.gz CZUARXGGSMEYNR-UHFFFAOYSA-N 1 2 372.428 4.041 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)CCCC)c1=S ZINC000192769044 1103577826 /nfs/dbraw/zinc/57/78/26/1103577826.db2.gz AQNWZXOLOGZPAP-UHFFFAOYSA-N 1 2 360.527 4.355 20 30 FIEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)CCCC)c1=S ZINC000192769044 1103577843 /nfs/dbraw/zinc/57/78/43/1103577843.db2.gz AQNWZXOLOGZPAP-UHFFFAOYSA-N 1 2 360.527 4.355 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000519869213 1103916002 /nfs/dbraw/zinc/91/60/02/1103916002.db2.gz BIWFHNMYQWRJQL-INIZCTEOSA-N 1 2 367.880 4.077 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000519869213 1103916003 /nfs/dbraw/zinc/91/60/03/1103916003.db2.gz BIWFHNMYQWRJQL-INIZCTEOSA-N 1 2 367.880 4.077 20 30 FIEDLO CCCc1cnc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000328640291 1104523165 /nfs/dbraw/zinc/52/31/65/1104523165.db2.gz CLNQCEQJUHBQDU-CQSZACIVSA-N 1 2 373.526 4.054 20 30 FIEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@H]2C2CCC2)s1 ZINC000328940617 1104595400 /nfs/dbraw/zinc/59/54/00/1104595400.db2.gz SLTGCPWOCUXTKA-HNNXBMFYSA-N 1 2 360.458 4.078 20 30 FIEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@H]2C2CCC2)s1 ZINC000328940617 1104595405 /nfs/dbraw/zinc/59/54/05/1104595405.db2.gz SLTGCPWOCUXTKA-HNNXBMFYSA-N 1 2 360.458 4.078 20 30 FIEDLO C=CCC(CC=C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007583 1104672971 /nfs/dbraw/zinc/67/29/71/1104672971.db2.gz ACRWAOJJWZNDMO-APWZRJJASA-N 1 2 353.466 4.267 20 30 FIEDLO C=CCC(CC=C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665007583 1104672975 /nfs/dbraw/zinc/67/29/75/1104672975.db2.gz ACRWAOJJWZNDMO-APWZRJJASA-N 1 2 353.466 4.267 20 30 FIEDLO COCC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)Cc1ccc(C#N)cc1 ZINC000441472043 1104821097 /nfs/dbraw/zinc/82/10/97/1104821097.db2.gz JHIFLLMESSCLAD-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO COCC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)Cc1ccc(C#N)cc1 ZINC000441472043 1104821103 /nfs/dbraw/zinc/82/11/03/1104821103.db2.gz JHIFLLMESSCLAD-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO N#CCCC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000487402627 1105227841 /nfs/dbraw/zinc/22/78/41/1105227841.db2.gz ILYPYSFNFOPKNM-NRFANRHFSA-N 1 2 358.445 4.096 20 30 FIEDLO CC(C)(C)c1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000507865606 1105241361 /nfs/dbraw/zinc/24/13/61/1105241361.db2.gz TZWFUROWAOBWCB-UHFFFAOYSA-N 1 2 355.507 4.356 20 30 FIEDLO C=CC[C@@H]1N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCC1(C)C ZINC000444886047 1108261805 /nfs/dbraw/zinc/26/18/05/1108261805.db2.gz ONECVNLILUMUBJ-FQEVSTJZSA-N 1 2 366.509 4.208 20 30 FIEDLO C=CCCC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC1 ZINC000475638833 1109068994 /nfs/dbraw/zinc/06/89/94/1109068994.db2.gz BDHHRXHQKAEYLV-UHFFFAOYSA-N 1 2 363.465 4.008 20 30 FIEDLO C=CCOc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000508588677 1109478207 /nfs/dbraw/zinc/47/82/07/1109478207.db2.gz NVEUZXGXUZJOCV-UHFFFAOYSA-N 1 2 373.500 4.249 20 30 FIEDLO COCC1(C#N)CC[NH+](Cc2cc(Cl)c(C)cc2Br)CC1 ZINC000449311165 1110029986 /nfs/dbraw/zinc/02/99/86/1110029986.db2.gz KQSWWTSGGVBGSW-UHFFFAOYSA-N 1 2 371.706 4.163 20 30 FIEDLO CC[N@@H+]1CC[C@H](NC(=O)C(C#N)(CC)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528962797 1110163273 /nfs/dbraw/zinc/16/32/73/1110163273.db2.gz JTPLNVAYMOXTLX-DLBZAZTESA-N 1 2 365.880 4.061 20 30 FIEDLO CC[N@H+]1CC[C@H](NC(=O)C(C#N)(CC)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528962797 1110163275 /nfs/dbraw/zinc/16/32/75/1110163275.db2.gz JTPLNVAYMOXTLX-DLBZAZTESA-N 1 2 365.880 4.061 20 30 FIEDLO CCN(Cc1cc(Cl)cc(C[N@H+](CC)C[C@@H](C)C#N)c1)C[C@@H](C)C#N ZINC000450326383 1110284286 /nfs/dbraw/zinc/28/42/86/1110284286.db2.gz HBLBNIUZNAQEJU-IRXDYDNUSA-N 1 2 360.933 4.303 20 30 FIEDLO CCN(Cc1cc(Cl)cc(C[N@@H+](CC)C[C@@H](C)C#N)c1)C[C@@H](C)C#N ZINC000450326383 1110284288 /nfs/dbraw/zinc/28/42/88/1110284288.db2.gz HBLBNIUZNAQEJU-IRXDYDNUSA-N 1 2 360.933 4.303 20 30 FIEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000538730220 1111267276 /nfs/dbraw/zinc/26/72/76/1111267276.db2.gz PPQNVDYQFUQLIP-UHFFFAOYSA-N 1 2 358.507 4.227 20 30 FIEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000538730220 1111267278 /nfs/dbraw/zinc/26/72/78/1111267278.db2.gz PPQNVDYQFUQLIP-UHFFFAOYSA-N 1 2 358.507 4.227 20 30 FIEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000538725067 1111275347 /nfs/dbraw/zinc/27/53/47/1111275347.db2.gz SNTMTHRSGYQVPQ-OALUTQOASA-N 1 2 354.523 4.261 20 30 FIEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000538725067 1111275348 /nfs/dbraw/zinc/27/53/48/1111275348.db2.gz SNTMTHRSGYQVPQ-OALUTQOASA-N 1 2 354.523 4.261 20 30 FIEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000538725068 1111275825 /nfs/dbraw/zinc/27/58/25/1111275825.db2.gz SNTMTHRSGYQVPQ-RBUKOAKNSA-N 1 2 354.523 4.261 20 30 FIEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000538725068 1111275826 /nfs/dbraw/zinc/27/58/26/1111275826.db2.gz SNTMTHRSGYQVPQ-RBUKOAKNSA-N 1 2 354.523 4.261 20 30 FIEDLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)ccc1C#N ZINC000554274878 1112284753 /nfs/dbraw/zinc/28/47/53/1112284753.db2.gz CEXYNYQEWKOIDC-OAHLLOKOSA-N 1 2 364.371 4.082 20 30 FIEDLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)ccc1C#N ZINC000554274878 1112284756 /nfs/dbraw/zinc/28/47/56/1112284756.db2.gz CEXYNYQEWKOIDC-OAHLLOKOSA-N 1 2 364.371 4.082 20 30 FIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000600157889 1112908345 /nfs/dbraw/zinc/90/83/45/1112908345.db2.gz BKGCLNSWUKAEJF-UHFFFAOYSA-N 1 2 351.397 4.219 20 30 FIEDLO COCC[N@H+](Cc1ncc(-c2ccccc2F)o1)Cc1ccc(C#N)cc1 ZINC000159772810 1113235688 /nfs/dbraw/zinc/23/56/88/1113235688.db2.gz OUGGJMDUAFFKGR-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO COCC[N@@H+](Cc1ncc(-c2ccccc2F)o1)Cc1ccc(C#N)cc1 ZINC000159772810 1113235692 /nfs/dbraw/zinc/23/56/92/1113235692.db2.gz OUGGJMDUAFFKGR-UHFFFAOYSA-N 1 2 365.408 4.001 20 30 FIEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000488442807 1113927173 /nfs/dbraw/zinc/92/71/73/1113927173.db2.gz ARUVRHLZFADZPM-IBGZPJMESA-N 1 2 360.379 4.459 20 30 FIEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000488442807 1113927175 /nfs/dbraw/zinc/92/71/75/1113927175.db2.gz ARUVRHLZFADZPM-IBGZPJMESA-N 1 2 360.379 4.459 20 30 FIEDLO CCC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490074325 1114213414 /nfs/dbraw/zinc/21/34/14/1114213414.db2.gz UPKXDCSIUFQVDH-GOSISDBHSA-N 1 2 374.488 4.359 20 30 FIEDLO CCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490074325 1114213416 /nfs/dbraw/zinc/21/34/16/1114213416.db2.gz UPKXDCSIUFQVDH-GOSISDBHSA-N 1 2 374.488 4.359 20 30 FIEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000490242567 1114250596 /nfs/dbraw/zinc/25/05/96/1114250596.db2.gz JRUBEWOGUPGQGC-FXAWDEMLSA-N 1 2 354.519 4.313 20 30 FIEDLO Cc1cccn2cc(CC(=O)Nc3cccc(C#Cc4cccs4)c3)[nH+]c12 ZINC000586749134 1114388031 /nfs/dbraw/zinc/38/80/31/1114388031.db2.gz CKGQZCJAXPHODA-UHFFFAOYSA-N 1 2 371.465 4.285 20 30 FIEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000055054428 1114413944 /nfs/dbraw/zinc/41/39/44/1114413944.db2.gz IZAQQNSYQPNFRY-UHFFFAOYSA-N 1 2 368.481 4.064 20 30 FIEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000055054428 1114413946 /nfs/dbraw/zinc/41/39/46/1114413946.db2.gz IZAQQNSYQPNFRY-UHFFFAOYSA-N 1 2 368.481 4.064 20 30 FIEDLO N#Cc1cc(Cl)cc(Br)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000587866818 1114496386 /nfs/dbraw/zinc/49/63/86/1114496386.db2.gz ZAHACRRAKNFNNC-ZDUSSCGKSA-N 1 2 365.662 4.012 20 30 FIEDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1)C[C@@H](C)C#N ZINC000572047109 1114595653 /nfs/dbraw/zinc/59/56/53/1114595653.db2.gz XYLZFOREKSKOCZ-JTQLQIEISA-N 1 2 360.093 4.193 20 30 FIEDLO CC[N@H+](Cc1cc(Br)cc(Br)c1)C[C@@H](C)C#N ZINC000572047109 1114595654 /nfs/dbraw/zinc/59/56/54/1114595654.db2.gz XYLZFOREKSKOCZ-JTQLQIEISA-N 1 2 360.093 4.193 20 30 FIEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)c1C#N ZINC000572477853 1114648465 /nfs/dbraw/zinc/64/84/65/1114648465.db2.gz SXABUSCQUBQGTI-UHFFFAOYSA-N 1 2 372.852 4.032 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnn1-c1ccc(F)cc1 ZINC000573288049 1115085165 /nfs/dbraw/zinc/08/51/65/1115085165.db2.gz JAXBLWCLVRAREI-UHFFFAOYSA-N 1 2 367.472 4.367 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnn1-c1ccc(F)cc1 ZINC000573288049 1115085166 /nfs/dbraw/zinc/08/51/66/1115085166.db2.gz JAXBLWCLVRAREI-UHFFFAOYSA-N 1 2 367.472 4.367 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000591475757 1115089019 /nfs/dbraw/zinc/08/90/19/1115089019.db2.gz UKCLJCWLTAMQIG-HNNXBMFYSA-N 1 2 362.399 4.217 20 30 FIEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000591475757 1115089022 /nfs/dbraw/zinc/08/90/22/1115089022.db2.gz UKCLJCWLTAMQIG-HNNXBMFYSA-N 1 2 362.399 4.217 20 30 FIEDLO Cc1cc(C[N@@H+](C)Cc2ccncc2C#N)cc(C)c1OCC(F)(F)F ZINC000592063597 1115197721 /nfs/dbraw/zinc/19/77/21/1115197721.db2.gz GCSZAKPIUVLFGC-UHFFFAOYSA-N 1 2 363.383 4.143 20 30 FIEDLO Cc1cc(C[N@H+](C)Cc2ccncc2C#N)cc(C)c1OCC(F)(F)F ZINC000592063597 1115197724 /nfs/dbraw/zinc/19/77/24/1115197724.db2.gz GCSZAKPIUVLFGC-UHFFFAOYSA-N 1 2 363.383 4.143 20 30 FIEDLO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000593076878 1115299803 /nfs/dbraw/zinc/29/98/03/1115299803.db2.gz MENGIVSQFXSXSQ-UGSOOPFHSA-N 1 2 370.884 4.173 20 30 FIEDLO N#CC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCC1 ZINC000593652811 1115337406 /nfs/dbraw/zinc/33/74/06/1115337406.db2.gz PBYIHVROKNAPKO-UHFFFAOYSA-N 1 2 359.271 4.013 20 30 FIEDLO Cc1nn(-c2ccc(C)cc2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000593944726 1115354945 /nfs/dbraw/zinc/35/49/45/1115354945.db2.gz OYVDSVJLTATWOZ-UHFFFAOYSA-N 1 2 361.449 4.179 20 30 FIEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594494293 1115449675 /nfs/dbraw/zinc/44/96/75/1115449675.db2.gz FDROWKPDVNUWAA-FQEVSTJZSA-N 1 2 362.452 4.240 20 30 FIEDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000594711429 1115478544 /nfs/dbraw/zinc/47/85/44/1115478544.db2.gz NHLGCNMMCLUJTJ-RYUDHWBXSA-N 1 2 374.535 4.023 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(OC)cc1 ZINC000059423146 1115511222 /nfs/dbraw/zinc/51/12/22/1115511222.db2.gz ZWLDOOPAHUTSCO-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(OC)cc1 ZINC000059423146 1115511223 /nfs/dbraw/zinc/51/12/23/1115511223.db2.gz ZWLDOOPAHUTSCO-UHFFFAOYSA-N 1 2 362.832 4.114 20 30 FIEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595610953 1115553036 /nfs/dbraw/zinc/55/30/36/1115553036.db2.gz DSIUGUWRUWDCOD-MRXNPFEDSA-N 1 2 354.454 4.041 20 30 FIEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595610953 1115553040 /nfs/dbraw/zinc/55/30/40/1115553040.db2.gz DSIUGUWRUWDCOD-MRXNPFEDSA-N 1 2 354.454 4.041 20 30 FIEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000597229931 1115650158 /nfs/dbraw/zinc/65/01/58/1115650158.db2.gz NVHPQNRPHXGQMK-HXUWFJFHSA-N 1 2 353.853 4.328 20 30 FIEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000597229931 1115650161 /nfs/dbraw/zinc/65/01/61/1115650161.db2.gz NVHPQNRPHXGQMK-HXUWFJFHSA-N 1 2 353.853 4.328 20 30 FIEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000602002233 1115678109 /nfs/dbraw/zinc/67/81/09/1115678109.db2.gz DHGDZFWFEDRCPA-UHFFFAOYSA-N 1 2 351.425 4.116 20 30 FIEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621029 1115740586 /nfs/dbraw/zinc/74/05/86/1115740586.db2.gz QWLCRDQPBPIMTF-WMLDXEAASA-N 1 2 360.889 4.044 20 30 FIEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000598621029 1115740589 /nfs/dbraw/zinc/74/05/89/1115740589.db2.gz QWLCRDQPBPIMTF-WMLDXEAASA-N 1 2 360.889 4.044 20 30 FIEDLO CCCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)c1cc(Cl)ccc1C#N ZINC000598811002 1115756801 /nfs/dbraw/zinc/75/68/01/1115756801.db2.gz JHTGJELOVKDMOP-UHFFFAOYSA-N 1 2 366.852 4.154 20 30 FIEDLO N#CCCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000599636796 1115833473 /nfs/dbraw/zinc/83/34/73/1115833473.db2.gz ORTYUSOFCXGTAI-OAHLLOKOSA-N 1 2 357.679 4.170 20 30 FIEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000599636796 1115833475 /nfs/dbraw/zinc/83/34/75/1115833475.db2.gz ORTYUSOFCXGTAI-OAHLLOKOSA-N 1 2 357.679 4.170 20 30 FIEDLO C=CCn1c(Cc2ccccc2)nnc1SCc1cc(OC)cc(C)[nH+]1 ZINC000535254495 1116289350 /nfs/dbraw/zinc/28/93/50/1116289350.db2.gz FVNIHDOUARYCHH-UHFFFAOYSA-N 1 2 366.490 4.059 20 30 FIEDLO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000540467658 1118083026 /nfs/dbraw/zinc/08/30/26/1118083026.db2.gz GMSJJXRRSCTZJY-HXUWFJFHSA-N 1 2 354.425 4.178 20 30 FIEDLO N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000460328098 1118336214 /nfs/dbraw/zinc/33/62/14/1118336214.db2.gz XNKZVKXBPFKGHO-UHFFFAOYSA-N 1 2 368.396 4.037 20 30 FIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc(Cl)c(C)c1C#N ZINC000541277995 1118458014 /nfs/dbraw/zinc/45/80/14/1118458014.db2.gz NHNFECQCOQTDSO-UHFFFAOYSA-N 1 2 369.900 4.053 20 30 FIEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723825 1118671507 /nfs/dbraw/zinc/67/15/07/1118671507.db2.gz CYZIKSSTMUHONJ-DJJJIMSYSA-N 1 2 371.843 4.372 20 30 FIEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464723825 1118671510 /nfs/dbraw/zinc/67/15/10/1118671510.db2.gz CYZIKSSTMUHONJ-DJJJIMSYSA-N 1 2 371.843 4.372 20 30 FIEDLO Cc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)ccc1C#N ZINC000444001289 1119183690 /nfs/dbraw/zinc/18/36/90/1119183690.db2.gz XUJOOKWXSSUTSI-HXUWFJFHSA-N 1 2 350.853 4.133 20 30 FIEDLO N#Cc1ccc(C[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C2CC2)cc1 ZINC000493229899 1119356230 /nfs/dbraw/zinc/35/62/30/1119356230.db2.gz OAVQRNFWZWCRBP-UHFFFAOYSA-N 1 2 368.484 4.397 20 30 FIEDLO N#Cc1ccc(C[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C2CC2)cc1 ZINC000493229899 1119356234 /nfs/dbraw/zinc/35/62/34/1119356234.db2.gz OAVQRNFWZWCRBP-UHFFFAOYSA-N 1 2 368.484 4.397 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000152585042 1119455588 /nfs/dbraw/zinc/45/55/88/1119455588.db2.gz XDPKJSWFKPKSSX-UHFFFAOYSA-N 1 2 369.538 4.417 20 30 FIEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000152585042 1119455591 /nfs/dbraw/zinc/45/55/91/1119455591.db2.gz XDPKJSWFKPKSSX-UHFFFAOYSA-N 1 2 369.538 4.417 20 30 FIEDLO COc1ccc(-c2ccncc2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000187607665 1119791980 /nfs/dbraw/zinc/79/19/80/1119791980.db2.gz FYSOGAUZLUSLBZ-UHFFFAOYSA-N 1 2 374.444 4.447 20 30 FIEDLO C=CC[N@@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC000494675131 1120025520 /nfs/dbraw/zinc/02/55/20/1120025520.db2.gz YVKKIDNRZRMBKQ-UHFFFAOYSA-N 1 2 365.502 4.256 20 30 FIEDLO C=CC[N@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC000494675131 1120025525 /nfs/dbraw/zinc/02/55/25/1120025525.db2.gz YVKKIDNRZRMBKQ-UHFFFAOYSA-N 1 2 365.502 4.256 20 30 FIEDLO CC(N=Nc1cccc2ncccc12)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000915963493 1121365054 /nfs/dbraw/zinc/36/50/54/1121365054.db2.gz ASMGNFWZXRRCMJ-JOCHJYFZSA-N 1 2 360.461 4.096 20 30 FIEDLO C=CCc1cc(OCC)ccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916369245 1121483631 /nfs/dbraw/zinc/48/36/31/1121483631.db2.gz BIGINNWGTXUVPO-UHFFFAOYSA-N 1 2 362.429 4.278 20 30 FIEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000054347762 1122168284 /nfs/dbraw/zinc/16/82/84/1122168284.db2.gz NENWNHNDCRDCAM-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000054347762 1122168287 /nfs/dbraw/zinc/16/82/87/1122168287.db2.gz NENWNHNDCRDCAM-UHFFFAOYSA-N 1 2 368.289 4.387 20 30 FIEDLO O=[N+]([O-])c1cc(C=[NH+]OCc2cc(F)ccc2F)ccc1N1CCCC1 ZINC000917394664 1122286732 /nfs/dbraw/zinc/28/67/32/1122286732.db2.gz MNLWVJLRBLTZFA-UHFFFAOYSA-N 1 2 361.348 4.024 20 30 FIEDLO C#CC[N@@H+](CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCc2ccccc21 ZINC000917456853 1122321572 /nfs/dbraw/zinc/32/15/72/1122321572.db2.gz GOFSSIMAOMDEJJ-OAQYLSRUSA-N 1 2 352.437 4.380 20 30 FIEDLO C#CC[N@H+](CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCc2ccccc21 ZINC000917456853 1122321577 /nfs/dbraw/zinc/32/15/77/1122321577.db2.gz GOFSSIMAOMDEJJ-OAQYLSRUSA-N 1 2 352.437 4.380 20 30 FIEDLO O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000917558534 1122352486 /nfs/dbraw/zinc/35/24/86/1122352486.db2.gz WPRSDPADPZOHOR-UHFFFAOYSA-N 1 2 353.422 4.079 20 30 FIEDLO CC1CC[NH+]([C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)c2ccccc2)CC1 ZINC000918712193 1122757888 /nfs/dbraw/zinc/75/78/88/1122757888.db2.gz GIXFAZZEHHIXAF-IDCRMVTHSA-N 1 2 367.449 4.193 20 30 FIEDLO CC1CC[NH+]([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)c2ccccc2)CC1 ZINC000918712194 1122757912 /nfs/dbraw/zinc/75/79/12/1122757912.db2.gz GIXFAZZEHHIXAF-YRXLECQKSA-N 1 2 367.449 4.193 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000131033822 1122965861 /nfs/dbraw/zinc/96/58/61/1122965861.db2.gz KMOUISRRNRMODR-ICSRJNTNSA-N 1 2 366.509 4.092 20 30 FIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000556623132 1123009918 /nfs/dbraw/zinc/00/99/18/1123009918.db2.gz UCNRSBGMTULDOG-SUMWQHHRSA-N 1 2 364.474 4.001 20 30 FIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000194965413 1123057042 /nfs/dbraw/zinc/05/70/42/1123057042.db2.gz PDNHNXZTFBROCU-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000194965413 1123057047 /nfs/dbraw/zinc/05/70/47/1123057047.db2.gz PDNHNXZTFBROCU-UHFFFAOYSA-N 1 2 374.271 4.468 20 30 FIEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301373117 1124223195 /nfs/dbraw/zinc/22/31/95/1124223195.db2.gz WFEHPLXJAYNWAV-UHFFFAOYSA-N 1 2 371.419 4.411 20 30 FIEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301631834 1124248154 /nfs/dbraw/zinc/24/81/54/1124248154.db2.gz UEMOKZSTHWWGOW-UHFFFAOYSA-N 1 2 356.351 4.434 20 30 FIEDLO N#Cc1ccc(Br)c(COc2ccccc2-n2cc[nH+]c2)c1 ZINC000617185177 1124469522 /nfs/dbraw/zinc/46/95/22/1124469522.db2.gz ZHOTYVRDCINYEU-UHFFFAOYSA-N 1 2 354.207 4.085 20 30 FIEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181754533 1125130716 /nfs/dbraw/zinc/13/07/16/1125130716.db2.gz DXABNHLFVHPGGX-SNVBAGLBSA-N 1 2 365.861 4.318 20 30 FIEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181759470 1125130728 /nfs/dbraw/zinc/13/07/28/1125130728.db2.gz DTFPOSNVSVOVNG-GHMZBOCLSA-N 1 2 363.820 4.238 20 30 FIEDLO COc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ccc1C#N ZINC001128333013 1125315875 /nfs/dbraw/zinc/31/58/75/1125315875.db2.gz FGYYLVUFYMMOCS-UHFFFAOYSA-N 1 2 372.428 4.019 20 30 FIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000481399689 567889325 /nfs/dbraw/zinc/88/93/25/567889325.db2.gz GLTHOSBXRNBPGX-JOCHJYFZSA-N 1 2 370.431 4.463 20 30 FIEDLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCC[C@H]1C#N ZINC000602992966 568040365 /nfs/dbraw/zinc/04/03/65/568040365.db2.gz LNZLTKIAOBDIEY-QFBILLFUSA-N 1 2 363.465 4.042 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(F)c2)ccc1Cl ZINC000302916091 568243120 /nfs/dbraw/zinc/24/31/20/568243120.db2.gz MLIZLMMRXKDLAJ-UHFFFAOYSA-N 1 2 373.859 4.166 20 30 FIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(F)c2)ccc1Cl ZINC000302916091 568243121 /nfs/dbraw/zinc/24/31/21/568243121.db2.gz MLIZLMMRXKDLAJ-UHFFFAOYSA-N 1 2 373.859 4.166 20 30 FIEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4c(C#N)nnc5ccccc54)C3)[nH+]c2c1 ZINC000541989768 568308760 /nfs/dbraw/zinc/30/87/60/568308760.db2.gz VRKVCBUQGPZPFN-HNNXBMFYSA-N 1 2 368.444 4.070 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365273631 568396413 /nfs/dbraw/zinc/39/64/13/568396413.db2.gz ZZQCHIAIYGFORF-HXUWFJFHSA-N 1 2 366.827 4.362 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365273631 568396414 /nfs/dbraw/zinc/39/64/14/568396414.db2.gz ZZQCHIAIYGFORF-HXUWFJFHSA-N 1 2 366.827 4.362 20 30 FIEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)c1ncc(Br)cn1 ZINC000569442483 568402386 /nfs/dbraw/zinc/40/23/86/568402386.db2.gz QSRNFEFRYZQALK-NXEZZACHSA-N 1 2 365.662 4.176 20 30 FIEDLO C=CCOC[C@H]1CCC[C@]12C[N@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979616 722170036 /nfs/dbraw/zinc/17/00/36/722170036.db2.gz UWGWLKFOKKGDHB-XLIONFOSSA-N 1 2 364.917 4.044 20 30 FIEDLO C=CCOC[C@H]1CCC[C@]12C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CCO2 ZINC001164979616 722170038 /nfs/dbraw/zinc/17/00/38/722170038.db2.gz UWGWLKFOKKGDHB-XLIONFOSSA-N 1 2 364.917 4.044 20 30 FIEDLO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000078587549 1125569039 /nfs/dbraw/zinc/56/90/39/1125569039.db2.gz KBYSCIYHUMPOEF-UHFFFAOYSA-N 1 2 363.486 4.487 20 30 FIEDLO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000078587549 1125569044 /nfs/dbraw/zinc/56/90/44/1125569044.db2.gz KBYSCIYHUMPOEF-UHFFFAOYSA-N 1 2 363.486 4.487 20 30 FIEDLO N#CCc1cc[nH+]c(N2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)c1 ZINC001167191239 1080815129 /nfs/dbraw/zinc/81/51/29/1080815129.db2.gz YNIUBCHZXWJPPV-UHFFFAOYSA-N 1 2 373.378 4.097 20 30 FIEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000328663708 1080972337 /nfs/dbraw/zinc/97/23/37/1080972337.db2.gz YCVIKVBEYIIELV-UHFFFAOYSA-N 1 2 368.525 4.044 20 30 FIEDLO C=CCC1(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCCCC1 ZINC000655621086 1081069483 /nfs/dbraw/zinc/06/94/83/1081069483.db2.gz JNJYUGLRTBVFAG-IBGZPJMESA-N 1 2 366.509 4.282 20 30 FIEDLO C[N@@H+]1CCc2c(C#N)c(Nc3cc(Cl)c(O)c(Cl)c3)sc2C1 ZINC001210924912 1081851919 /nfs/dbraw/zinc/85/19/19/1081851919.db2.gz XGDBREGSNBAKBN-UHFFFAOYSA-N 1 2 354.262 4.364 20 30 FIEDLO C[N@H+]1CCc2c(C#N)c(Nc3cc(Cl)c(O)c(Cl)c3)sc2C1 ZINC001210924912 1081851924 /nfs/dbraw/zinc/85/19/24/1081851924.db2.gz XGDBREGSNBAKBN-UHFFFAOYSA-N 1 2 354.262 4.364 20 30 FIEDLO COc1ccccc1COC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187394840 1082335997 /nfs/dbraw/zinc/33/59/97/1082335997.db2.gz KSJVXJMWYGTVLM-UHFFFAOYSA-N 1 2 370.880 4.401 20 30 FIEDLO COc1cc(C#N)cnc1N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001167456288 1082501279 /nfs/dbraw/zinc/50/12/79/1082501279.db2.gz BEAMWMICZCAMRN-UHFFFAOYSA-N 1 2 361.430 4.152 20 30 FIEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000510495037 1083053155 /nfs/dbraw/zinc/05/31/55/1083053155.db2.gz GWALDTJFYHZFJK-UHFFFAOYSA-N 1 2 356.429 4.319 20 30 FIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000510859457 1083345842 /nfs/dbraw/zinc/34/58/42/1083345842.db2.gz KZMZMEHEHYVQAY-CYBMUJFWSA-N 1 2 370.434 4.456 20 30 FIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000510859457 1083345843 /nfs/dbraw/zinc/34/58/43/1083345843.db2.gz KZMZMEHEHYVQAY-CYBMUJFWSA-N 1 2 370.434 4.456 20 30 FIEDLO Cn1cc(C[NH+](Cc2ccco2)Cc2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000179886738 1083829395 /nfs/dbraw/zinc/82/93/95/1083829395.db2.gz SCNOROPAUCFSGO-UHFFFAOYSA-N 1 2 372.428 4.347 20 30 FIEDLO COc1ccc(C#N)cc1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000610953116 1083876336 /nfs/dbraw/zinc/87/63/36/1083876336.db2.gz TXRHKTVPDYKFRK-CHWSQXEVSA-N 1 2 366.305 4.130 20 30 FIEDLO COc1ccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2ccccc2Cl)cc1 ZINC000610956808 1083881767 /nfs/dbraw/zinc/88/17/67/1083881767.db2.gz JHVVUXNIBHFHNI-OAQYLSRUSA-N 1 2 363.848 4.494 20 30 FIEDLO C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000065234732 1083958089 /nfs/dbraw/zinc/95/80/89/1083958089.db2.gz FBTDVNVSZSWMFL-UHFFFAOYSA-N 1 2 360.436 4.004 20 30 FIEDLO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000065234732 1083958093 /nfs/dbraw/zinc/95/80/93/1083958093.db2.gz FBTDVNVSZSWMFL-UHFFFAOYSA-N 1 2 360.436 4.004 20 30 FIEDLO O=C1C[C@H](C/[NH+]=C\c2c(O)ccc3ccccc32)CN1Cc1ccccc1 ZINC000255871259 1084070829 /nfs/dbraw/zinc/07/08/29/1084070829.db2.gz LDSOELVGYOJCGT-YNJLWJOVSA-N 1 2 358.441 4.013 20 30 FIEDLO COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1Br ZINC000255878410 1084320843 /nfs/dbraw/zinc/32/08/43/1084320843.db2.gz RPTKESMQQKDMGK-SREVYHEPSA-N 1 2 357.207 4.002 20 30 FIEDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651622811 1085254908 /nfs/dbraw/zinc/25/49/08/1085254908.db2.gz JRRCHISNDZUUAE-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 ZINC000651622811 1085254916 /nfs/dbraw/zinc/25/49/16/1085254916.db2.gz JRRCHISNDZUUAE-PHIMTYICSA-N 1 2 359.285 4.397 20 30 FIEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135216289 1085465514 /nfs/dbraw/zinc/46/55/14/1085465514.db2.gz DVZVSPJHNOQKBK-RDJZCZTQSA-N 1 2 362.901 4.069 20 30 FIEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000135216289 1085465520 /nfs/dbraw/zinc/46/55/20/1085465520.db2.gz DVZVSPJHNOQKBK-RDJZCZTQSA-N 1 2 362.901 4.069 20 30 FIEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(Cl)c1 ZINC000075638276 1085534689 /nfs/dbraw/zinc/53/46/89/1085534689.db2.gz OFDCTTMTSICDJT-UHFFFAOYSA-N 1 2 352.825 4.284 20 30 FIEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(Cl)c1 ZINC000075638276 1085534693 /nfs/dbraw/zinc/53/46/93/1085534693.db2.gz OFDCTTMTSICDJT-UHFFFAOYSA-N 1 2 352.825 4.284 20 30 FIEDLO C=CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000661379686 1085543953 /nfs/dbraw/zinc/54/39/53/1085543953.db2.gz GMOSNLQOAJPOOW-ZDUSSCGKSA-N 1 2 355.463 4.445 20 30 FIEDLO C=CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000661379686 1085543962 /nfs/dbraw/zinc/54/39/62/1085543962.db2.gz GMOSNLQOAJPOOW-ZDUSSCGKSA-N 1 2 355.463 4.445 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1OCCCO2 ZINC000582932048 1085936435 /nfs/dbraw/zinc/93/64/35/1085936435.db2.gz MSBISPDQZJNLBZ-UHFFFAOYSA-N 1 2 355.482 4.204 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1OCCCO2 ZINC000582932048 1085936436 /nfs/dbraw/zinc/93/64/36/1085936436.db2.gz MSBISPDQZJNLBZ-UHFFFAOYSA-N 1 2 355.482 4.204 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841782 1086221013 /nfs/dbraw/zinc/22/10/13/1086221013.db2.gz ULSLKZNYSYVSJG-QHCPKHFHSA-N 1 2 374.440 4.304 20 30 FIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841782 1086221023 /nfs/dbraw/zinc/22/10/23/1086221023.db2.gz ULSLKZNYSYVSJG-QHCPKHFHSA-N 1 2 374.440 4.304 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+](Cc2ccncc2)CC1 ZINC000255569600 1086773491 /nfs/dbraw/zinc/77/34/91/1086773491.db2.gz JHGQRKVMLSMTMF-JJFYIABZSA-N 1 2 364.276 4.178 20 30 FIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCc4cccnc43)n2)C1 ZINC000329319344 1086906722 /nfs/dbraw/zinc/90/67/22/1086906722.db2.gz RCLLKOBBAIKZBR-CZUORRHYSA-N 1 2 356.495 4.088 20 30 FIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCc4cccnc43)n2)C1 ZINC000329319344 1086906723 /nfs/dbraw/zinc/90/67/23/1086906723.db2.gz RCLLKOBBAIKZBR-CZUORRHYSA-N 1 2 356.495 4.088 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000583881035 1087010076 /nfs/dbraw/zinc/01/00/76/1087010076.db2.gz QCGZLZGEKIQZDJ-GUYCJALGSA-N 1 2 365.399 4.431 20 30 FIEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000583881035 1087010082 /nfs/dbraw/zinc/01/00/82/1087010082.db2.gz QCGZLZGEKIQZDJ-GUYCJALGSA-N 1 2 365.399 4.431 20 30 FIEDLO N#Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(C(F)(F)F)c1 ZINC000584379932 1087314179 /nfs/dbraw/zinc/31/41/79/1087314179.db2.gz BLUWOJNMIFMNCF-UHFFFAOYSA-N 1 2 365.302 4.342 20 30 FIEDLO C=C(Br)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000309590376 1087336630 /nfs/dbraw/zinc/33/66/30/1087336630.db2.gz YWXQNLZSSLZIDP-UHFFFAOYSA-N 1 2 362.090 4.057 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cnn(C(C)C)c1 ZINC000685443138 1087569385 /nfs/dbraw/zinc/56/93/85/1087569385.db2.gz MPBWXJGNKLAFGA-UHFFFAOYSA-N 1 2 367.472 4.367 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cnn(C(C)C)c1 ZINC000685443138 1087569388 /nfs/dbraw/zinc/56/93/88/1087569388.db2.gz MPBWXJGNKLAFGA-UHFFFAOYSA-N 1 2 367.472 4.367 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(Cl)cn12 ZINC000685443139 1087569657 /nfs/dbraw/zinc/56/96/57/1087569657.db2.gz MVEVBLKKCAUIRP-UHFFFAOYSA-N 1 2 357.889 4.343 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(Cl)cn12 ZINC000685443139 1087569659 /nfs/dbraw/zinc/56/96/59/1087569659.db2.gz MVEVBLKKCAUIRP-UHFFFAOYSA-N 1 2 357.889 4.343 20 30 FIEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(C)cc(C(C)(C)C)cc32)nn1 ZINC000424292829 1087901925 /nfs/dbraw/zinc/90/19/25/1087901925.db2.gz HPBVHEPBSBJBIS-IBGZPJMESA-N 1 2 354.498 4.074 20 30 FIEDLO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000480678577 1087974354 /nfs/dbraw/zinc/97/43/54/1087974354.db2.gz KEQSEIDGQGUORO-UHFFFAOYSA-N 1 2 359.267 4.351 20 30 FIEDLO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000480678577 1087974361 /nfs/dbraw/zinc/97/43/61/1087974361.db2.gz KEQSEIDGQGUORO-UHFFFAOYSA-N 1 2 359.267 4.351 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(F)c1F ZINC000181231993 1088269130 /nfs/dbraw/zinc/26/91/30/1088269130.db2.gz DLQSXJZAJKXLQI-JTQLQIEISA-N 1 2 351.194 4.450 20 30 FIEDLO CCC[N@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1CC)Cc1ccc(C#N)cc1 ZINC000434569314 1088774836 /nfs/dbraw/zinc/77/48/36/1088774836.db2.gz GAROMRTUCFXBJE-UHFFFAOYSA-N 1 2 365.477 4.055 20 30 FIEDLO CCC[N@@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1CC)Cc1ccc(C#N)cc1 ZINC000434569314 1088774861 /nfs/dbraw/zinc/77/48/61/1088774861.db2.gz GAROMRTUCFXBJE-UHFFFAOYSA-N 1 2 365.477 4.055 20 30 FIEDLO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(Cl)c1O ZINC000376835171 1088935775 /nfs/dbraw/zinc/93/57/75/1088935775.db2.gz SBZNEKHDVQOPPQ-GOSISDBHSA-N 1 2 370.884 4.022 20 30 FIEDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cc(C#N)ccc1F ZINC000434986940 1089187468 /nfs/dbraw/zinc/18/74/68/1089187468.db2.gz QWGVXECKEFIXBP-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cc(C#N)ccc1F ZINC000434986940 1089187473 /nfs/dbraw/zinc/18/74/73/1089187473.db2.gz QWGVXECKEFIXBP-UHFFFAOYSA-N 1 2 365.364 4.498 20 30 FIEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)sc1Br ZINC000434989505 1089190366 /nfs/dbraw/zinc/19/03/66/1089190366.db2.gz AWKCSMOYDDSQDB-UHFFFAOYSA-N 1 2 353.260 4.462 20 30 FIEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)sc1Br ZINC000434989505 1089190374 /nfs/dbraw/zinc/19/03/74/1089190374.db2.gz AWKCSMOYDDSQDB-UHFFFAOYSA-N 1 2 353.260 4.462 20 30 FIEDLO CCc1c(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]c(C)c1C(C)=O ZINC000085789265 1091475996 /nfs/dbraw/zinc/47/59/96/1091475996.db2.gz ATORQYOYSJJITK-UHFFFAOYSA-N 1 2 365.477 4.053 20 30 FIEDLO CCc1c(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]c(C)c1C(C)=O ZINC000085789265 1091475999 /nfs/dbraw/zinc/47/59/99/1091475999.db2.gz ATORQYOYSJJITK-UHFFFAOYSA-N 1 2 365.477 4.053 20 30 FIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000512205528 1091910470 /nfs/dbraw/zinc/91/04/70/1091910470.db2.gz ZPUKOVLWBUGBDP-UHFFFAOYSA-N 1 2 356.397 4.144 20 30 FIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000512205528 1091910475 /nfs/dbraw/zinc/91/04/75/1091910475.db2.gz ZPUKOVLWBUGBDP-UHFFFAOYSA-N 1 2 356.397 4.144 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000432630631 1092012621 /nfs/dbraw/zinc/01/26/21/1092012621.db2.gz DIPAKHGFWKDIAQ-CQSZACIVSA-N 1 2 350.532 4.099 20 30 FIEDLO C=CCC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000432630631 1092012630 /nfs/dbraw/zinc/01/26/30/1092012630.db2.gz DIPAKHGFWKDIAQ-CQSZACIVSA-N 1 2 350.532 4.099 20 30 FIEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000237608135 1092514765 /nfs/dbraw/zinc/51/47/65/1092514765.db2.gz IVMSFSJASGICGO-INIZCTEOSA-N 1 2 367.497 4.318 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000512506515 1092597304 /nfs/dbraw/zinc/59/73/04/1092597304.db2.gz MUHNMJKRGSAZPO-INIZCTEOSA-N 1 2 359.470 4.291 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000512506515 1092597314 /nfs/dbraw/zinc/59/73/14/1092597314.db2.gz MUHNMJKRGSAZPO-INIZCTEOSA-N 1 2 359.470 4.291 20 30 FIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC000521474975 1092713678 /nfs/dbraw/zinc/71/36/78/1092713678.db2.gz LDFAOSMBGINVOD-SFHVURJKSA-N 1 2 364.836 4.221 20 30 FIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000512547217 1092901706 /nfs/dbraw/zinc/90/17/06/1092901706.db2.gz KOBWVLOIJZDUSS-GUDVDZBRSA-N 1 2 360.546 4.020 20 30 FIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000512547217 1092901712 /nfs/dbraw/zinc/90/17/12/1092901712.db2.gz KOBWVLOIJZDUSS-GUDVDZBRSA-N 1 2 360.546 4.020 20 30 FIEDLO CC(C)C[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000521822612 1092940093 /nfs/dbraw/zinc/94/00/93/1092940093.db2.gz ZDWACDDXIWQLKH-UHFFFAOYSA-N 1 2 360.461 4.190 20 30 FIEDLO CC(C)C[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000521822612 1092940096 /nfs/dbraw/zinc/94/00/96/1092940096.db2.gz ZDWACDDXIWQLKH-UHFFFAOYSA-N 1 2 360.461 4.190 20 30 FIEDLO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(C#N)cc1F ZINC000512650214 1093074142 /nfs/dbraw/zinc/07/41/42/1093074142.db2.gz XWEWLWRGANOBLR-OAHLLOKOSA-N 1 2 360.436 4.223 20 30 FIEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522402279 1093497850 /nfs/dbraw/zinc/49/78/50/1093497850.db2.gz KFFNXBGIHAEYRQ-UHFFFAOYSA-N 1 2 361.355 4.182 20 30 FIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)ccc1F ZINC000614405817 1093824309 /nfs/dbraw/zinc/82/43/09/1093824309.db2.gz HQPFKDGTTDJLLT-CQSZACIVSA-N 1 2 350.397 4.215 20 30 FIEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000404926539 1094356609 /nfs/dbraw/zinc/35/66/09/1094356609.db2.gz PJMDAJJAJRVCLZ-NSHDSACASA-N 1 2 374.653 4.070 20 30 FIEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000404926539 1094356618 /nfs/dbraw/zinc/35/66/18/1094356618.db2.gz PJMDAJJAJRVCLZ-NSHDSACASA-N 1 2 374.653 4.070 20 30 FIEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019273 1094714820 /nfs/dbraw/zinc/71/48/20/1094714820.db2.gz HIQDPNFWWYNTRD-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)n1 ZINC000329019273 1094714828 /nfs/dbraw/zinc/71/48/28/1094714828.db2.gz HIQDPNFWWYNTRD-KOLCDFICSA-N 1 2 369.252 4.151 20 30 FIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3cccnc3)n2)C1 ZINC000329102613 1094739968 /nfs/dbraw/zinc/73/99/68/1094739968.db2.gz NHFFGKNTASKGGR-AWEZNQCLSA-N 1 2 358.511 4.336 20 30 FIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3cccnc3)n2)C1 ZINC000329102613 1094739980 /nfs/dbraw/zinc/73/99/80/1094739980.db2.gz NHFFGKNTASKGGR-AWEZNQCLSA-N 1 2 358.511 4.336 20 30 FIEDLO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329302640 1094829310 /nfs/dbraw/zinc/82/93/10/1094829310.db2.gz WYEIDXVNWNYKRG-PKOBYXMFSA-N 1 2 368.456 4.278 20 30 FIEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329671008 1095092377 /nfs/dbraw/zinc/09/23/77/1095092377.db2.gz TXJGLSBOTYBEHB-INIZCTEOSA-N 1 2 356.466 4.095 20 30 FIEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329671008 1095092392 /nfs/dbraw/zinc/09/23/92/1095092392.db2.gz TXJGLSBOTYBEHB-INIZCTEOSA-N 1 2 356.466 4.095 20 30 FIEDLO Cc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C)[nH+]1 ZINC000421063731 1095291363 /nfs/dbraw/zinc/29/13/63/1095291363.db2.gz NJGZKWRQDJBWDV-HNNXBMFYSA-N 1 2 354.479 4.414 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000329856224 1095294420 /nfs/dbraw/zinc/29/44/20/1095294420.db2.gz UPFSEDDWPFHZLV-VHSSKADRSA-N 1 2 359.470 4.160 20 30 FIEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000329856224 1095294433 /nfs/dbraw/zinc/29/44/33/1095294433.db2.gz UPFSEDDWPFHZLV-VHSSKADRSA-N 1 2 359.470 4.160 20 30 FIEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CCC[C@H](C)C3)c2)CC1 ZINC000329950977 1095327038 /nfs/dbraw/zinc/32/70/38/1095327038.db2.gz ICJSCXAYDPBTOZ-HKUYNNGSSA-N 1 2 371.525 4.155 20 30 FIEDLO Cc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000329951519 1095328100 /nfs/dbraw/zinc/32/81/00/1095328100.db2.gz MLCGJCNSHLMQSX-VDGAXYAQSA-N 1 2 352.482 4.140 20 30 FIEDLO [O-]C(=[NH+][C@@H]1CCC[C@H](c2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330168550 1095400382 /nfs/dbraw/zinc/40/03/82/1095400382.db2.gz CSTMZEOATDGKMQ-GBESFXJTSA-N 1 2 352.482 4.230 20 30 FIEDLO Cc1cc(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1C1CC1 ZINC000502498871 1095533719 /nfs/dbraw/zinc/53/37/19/1095533719.db2.gz ARVFZBIHSMBGNQ-UHFFFAOYSA-N 1 2 359.473 4.284 20 30 FIEDLO Cc1cc(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1C1CC1 ZINC000502498871 1095533732 /nfs/dbraw/zinc/53/37/32/1095533732.db2.gz ARVFZBIHSMBGNQ-UHFFFAOYSA-N 1 2 359.473 4.284 20 30 FIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000502554796 1095586603 /nfs/dbraw/zinc/58/66/03/1095586603.db2.gz RWDVQLFVWUUZGU-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000502554796 1095586607 /nfs/dbraw/zinc/58/66/07/1095586607.db2.gz RWDVQLFVWUUZGU-UHFFFAOYSA-N 1 2 360.392 4.037 20 30 FIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000183621666 1095766903 /nfs/dbraw/zinc/76/69/03/1095766903.db2.gz GSTUPHCFTVEROI-ZDUSSCGKSA-N 1 2 374.897 4.184 20 30 FIEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272482069 1096185614 /nfs/dbraw/zinc/18/56/14/1096185614.db2.gz BDYRHUORTYOIJQ-FQEVSTJZSA-N 1 2 363.461 4.001 20 30 FIEDLO CC1(C#N)CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000272522256 1096188483 /nfs/dbraw/zinc/18/84/83/1096188483.db2.gz HMCNSSLQJUYEKK-IBGZPJMESA-N 1 2 358.445 4.452 20 30 FIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515737426 1098903723 /nfs/dbraw/zinc/90/37/23/1098903723.db2.gz HZYDPYQLUWNNPB-WDEREUQCSA-N 1 2 363.795 4.168 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cccc(C#N)c1 ZINC000026323294 1098978008 /nfs/dbraw/zinc/97/80/08/1098978008.db2.gz WDFSXRURUXPAJS-UHFFFAOYSA-N 1 2 371.440 4.421 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cccc(C#N)c1 ZINC000026323294 1098978010 /nfs/dbraw/zinc/97/80/10/1098978010.db2.gz WDFSXRURUXPAJS-UHFFFAOYSA-N 1 2 371.440 4.421 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000026324060 1098978775 /nfs/dbraw/zinc/97/87/75/1098978775.db2.gz CLOGBUKHDYFYBN-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000026324060 1098978779 /nfs/dbraw/zinc/97/87/79/1098978779.db2.gz CLOGBUKHDYFYBN-UHFFFAOYSA-N 1 2 355.441 4.296 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533353899 1098989388 /nfs/dbraw/zinc/98/93/88/1098989388.db2.gz NVUJYPYSYFCBLT-YJBOKZPZSA-N 1 2 368.506 4.185 20 30 FIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000533353899 1098989390 /nfs/dbraw/zinc/98/93/90/1098989390.db2.gz NVUJYPYSYFCBLT-YJBOKZPZSA-N 1 2 368.506 4.185 20 30 FIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026328535 1099001942 /nfs/dbraw/zinc/00/19/42/1099001942.db2.gz DLRBHJFTCPWRGX-QFIPXVFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000026328535 1099001952 /nfs/dbraw/zinc/00/19/52/1099001952.db2.gz DLRBHJFTCPWRGX-QFIPXVFZSA-N 1 2 355.441 4.370 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000425540939 1099008035 /nfs/dbraw/zinc/00/80/35/1099008035.db2.gz VXFGRYIDVGJDMJ-AWEZNQCLSA-N 1 2 365.868 4.200 20 30 FIEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000425540939 1099008047 /nfs/dbraw/zinc/00/80/47/1099008047.db2.gz VXFGRYIDVGJDMJ-AWEZNQCLSA-N 1 2 365.868 4.200 20 30 FIEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)cc2F)c1 ZINC000533446569 1099071613 /nfs/dbraw/zinc/07/16/13/1099071613.db2.gz RGWVYRPXDURDFB-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)cc2F)c1 ZINC000533446569 1099071626 /nfs/dbraw/zinc/07/16/26/1099071626.db2.gz RGWVYRPXDURDFB-UHFFFAOYSA-N 1 2 366.465 4.398 20 30 FIEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516199689 1099262870 /nfs/dbraw/zinc/26/28/70/1099262870.db2.gz MLOUGBCMKRHHNG-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516199689 1099262886 /nfs/dbraw/zinc/26/28/86/1099262886.db2.gz MLOUGBCMKRHHNG-MSOLQXFVSA-N 1 2 365.235 4.094 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OCc2ccncc2)cc1 ZINC000162248980 1099658216 /nfs/dbraw/zinc/65/82/16/1099658216.db2.gz LBOKYUBXAUQQPG-UHFFFAOYSA-N 1 2 374.444 4.350 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1csc(-c2ccccc2)n1 ZINC000162239467 1099665079 /nfs/dbraw/zinc/66/50/79/1099665079.db2.gz TZKGGRRNTMYLEA-UHFFFAOYSA-N 1 2 350.447 4.500 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(OCC(F)(F)F)c1 ZINC000162264438 1099668541 /nfs/dbraw/zinc/66/85/41/1099668541.db2.gz YOYVFIMSZKQCRD-UHFFFAOYSA-N 1 2 365.355 4.317 20 30 FIEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(OC(F)(F)F)c1 ZINC000162267016 1099670450 /nfs/dbraw/zinc/67/04/50/1099670450.db2.gz ODSKVLSMWCHCHG-UHFFFAOYSA-N 1 2 351.328 4.275 20 30 FIEDLO CCCCOc1ccc(-c2nnc(C[NH+]3CCC(C)(C#N)CC3)o2)cc1 ZINC000506047216 1099909558 /nfs/dbraw/zinc/90/95/58/1099909558.db2.gz ITPQDFRQWZMFGF-UHFFFAOYSA-N 1 2 354.454 4.041 20 30 FIEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506057223 1099951228 /nfs/dbraw/zinc/95/12/28/1099951228.db2.gz WHFDDXCCQWUTHO-QGZVFWFLSA-N 1 2 363.461 4.432 20 30 FIEDLO C=CCc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc(OC)c1OC ZINC000162740333 1099976948 /nfs/dbraw/zinc/97/69/48/1099976948.db2.gz CVNIZGATCAUUJX-UHFFFAOYSA-N 1 2 363.417 4.075 20 30 FIEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nc2c(s1)CCC2 ZINC000459637501 1100374803 /nfs/dbraw/zinc/37/48/03/1100374803.db2.gz XIHODWNQGIARPJ-JTQLQIEISA-N 1 2 362.296 4.117 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536948420 1101368580 /nfs/dbraw/zinc/36/85/80/1101368580.db2.gz RRTPZEHJCJXSBY-ZWKOTPCHSA-N 1 2 367.896 4.222 20 30 FIEDLO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536948420 1101368593 /nfs/dbraw/zinc/36/85/93/1101368593.db2.gz RRTPZEHJCJXSBY-ZWKOTPCHSA-N 1 2 367.896 4.222 20 30 FIEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000537158729 1101504465 /nfs/dbraw/zinc/50/44/65/1101504465.db2.gz NJDSUNYSAAREMS-NSHDSACASA-N 1 2 350.340 4.158 20 30 FIEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427979 1101577256 /nfs/dbraw/zinc/57/72/56/1101577256.db2.gz QKWRETLHPJLCEZ-HXPMCKFVSA-N 1 2 371.481 4.397 20 30 FIEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C#N)c1C ZINC000426427979 1101577267 /nfs/dbraw/zinc/57/72/67/1101577267.db2.gz QKWRETLHPJLCEZ-HXPMCKFVSA-N 1 2 371.481 4.397 20 30 FIEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000128393607 1102750751 /nfs/dbraw/zinc/75/07/51/1102750751.db2.gz DNRUFHOSDDMBLH-HRAATJIYSA-N 1 2 363.436 4.011 20 30 FIEDLO CC(C)(C)c1csc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000888220852 1102909902 /nfs/dbraw/zinc/90/99/02/1102909902.db2.gz IQVSASXSIQYEGZ-UHFFFAOYSA-N 1 2 357.483 4.052 20 30 FIEDLO C=C(C)CN(Cc1ccccc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000477142217 1103164726 /nfs/dbraw/zinc/16/47/26/1103164726.db2.gz UVBIQPBVKNDMOC-UHFFFAOYSA-N 1 2 369.415 4.228 20 30 FIEDLO CC[C@@H](C)[N@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000551926585 1103792004 /nfs/dbraw/zinc/79/20/04/1103792004.db2.gz PQWUFZDCYAAEPC-CYBMUJFWSA-N 1 2 352.463 4.069 20 30 FIEDLO CC[C@@H](C)[N@@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000551926585 1103792014 /nfs/dbraw/zinc/79/20/14/1103792014.db2.gz PQWUFZDCYAAEPC-CYBMUJFWSA-N 1 2 352.463 4.069 20 30 FIEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601444 1104532172 /nfs/dbraw/zinc/53/21/72/1104532172.db2.gz FMOURHCITGMEHL-OLZOCXBDSA-N 1 2 372.435 4.286 20 30 FIEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000328750680 1104550234 /nfs/dbraw/zinc/55/02/34/1104550234.db2.gz QQVLPTSEHZVBKV-HNNXBMFYSA-N 1 2 351.372 4.201 20 30 FIEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000328750680 1104550245 /nfs/dbraw/zinc/55/02/45/1104550245.db2.gz QQVLPTSEHZVBKV-HNNXBMFYSA-N 1 2 351.372 4.201 20 30 FIEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000330782629 1104676103 /nfs/dbraw/zinc/67/61/03/1104676103.db2.gz PTITZGMZVRZJMA-UHFFFAOYSA-N 1 2 360.255 4.230 20 30 FIEDLO N#Cc1ccc(OC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)cc1 ZINC000507804611 1105141644 /nfs/dbraw/zinc/14/16/44/1105141644.db2.gz GFNWYWXZHCOTLQ-UHFFFAOYSA-N 1 2 365.458 4.318 20 30 FIEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000579639589 1105224498 /nfs/dbraw/zinc/22/44/98/1105224498.db2.gz TVBDANFUGKUMJX-SFHVURJKSA-N 1 2 362.351 4.030 20 30 FIEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000579639589 1105224500 /nfs/dbraw/zinc/22/45/00/1105224500.db2.gz TVBDANFUGKUMJX-SFHVURJKSA-N 1 2 362.351 4.030 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000487405034 1105295533 /nfs/dbraw/zinc/29/55/33/1105295533.db2.gz MCDGRGMAHSCTTP-ZWKOTPCHSA-N 1 2 364.493 4.189 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000487405034 1105295536 /nfs/dbraw/zinc/29/55/36/1105295536.db2.gz MCDGRGMAHSCTTP-ZWKOTPCHSA-N 1 2 364.493 4.189 20 30 FIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000019540392 1106756216 /nfs/dbraw/zinc/75/62/16/1106756216.db2.gz DWJNZSDEBWJAGV-UHFFFAOYSA-N 1 2 370.396 4.273 20 30 FIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000019540392 1106756226 /nfs/dbraw/zinc/75/62/26/1106756226.db2.gz DWJNZSDEBWJAGV-UHFFFAOYSA-N 1 2 370.396 4.273 20 30 FIEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665626447 1106872128 /nfs/dbraw/zinc/87/21/28/1106872128.db2.gz YDXRNGGOJKFLRA-QGZVKYPTSA-N 1 2 369.509 4.011 20 30 FIEDLO FC(F)(F)CO[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531416029 1107853796 /nfs/dbraw/zinc/85/37/96/1107853796.db2.gz FGJKMZCRASFAOM-HNNXBMFYSA-N 1 2 365.317 4.100 20 30 FIEDLO FC(F)(F)CO[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531416029 1107853814 /nfs/dbraw/zinc/85/38/14/1107853814.db2.gz FGJKMZCRASFAOM-HNNXBMFYSA-N 1 2 365.317 4.100 20 30 FIEDLO C=CCC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000666004238 1107937778 /nfs/dbraw/zinc/93/77/78/1107937778.db2.gz XIERQQOATYCVPO-QGZVFWFLSA-N 1 2 357.498 4.090 20 30 FIEDLO CC(C)(C)OC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000428376610 1108121755 /nfs/dbraw/zinc/12/17/55/1108121755.db2.gz VUPJCYCXZPKIET-UHFFFAOYSA-N 1 2 367.449 4.332 20 30 FIEDLO N#Cc1c(F)cccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000428377702 1108175508 /nfs/dbraw/zinc/17/55/08/1108175508.db2.gz SPXLUQNGYAGCTI-UHFFFAOYSA-N 1 2 363.411 4.476 20 30 FIEDLO N#Cc1c(F)cccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000428377702 1108175516 /nfs/dbraw/zinc/17/55/16/1108175516.db2.gz SPXLUQNGYAGCTI-UHFFFAOYSA-N 1 2 363.411 4.476 20 30 FIEDLO C=CC[C@@H]1N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCC1(C)C ZINC000444847280 1108212009 /nfs/dbraw/zinc/21/20/09/1108212009.db2.gz JIOMQJNLQWJGHG-FQEVSTJZSA-N 1 2 366.509 4.208 20 30 FIEDLO CSc1ccccc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000440620989 1108327624 /nfs/dbraw/zinc/32/76/24/1108327624.db2.gz ZHTHQXSOSCBGJZ-ZDUSSCGKSA-N 1 2 350.447 4.181 20 30 FIEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3ccc(C(C)C)cc31)CCC2 ZINC000447680265 1109618032 /nfs/dbraw/zinc/61/80/32/1109618032.db2.gz QKFCPOPPMTVMBQ-QGZVFWFLSA-N 1 2 359.477 4.146 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C2 ZINC000527007315 1109665331 /nfs/dbraw/zinc/66/53/31/1109665331.db2.gz WKXSCHQWBCDZDZ-HOKUHMFPSA-N 1 2 370.541 4.253 20 30 FIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)CC2 ZINC000527007315 1109665334 /nfs/dbraw/zinc/66/53/34/1109665334.db2.gz WKXSCHQWBCDZDZ-HOKUHMFPSA-N 1 2 370.541 4.253 20 30 FIEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000448009880 1109699508 /nfs/dbraw/zinc/69/95/08/1109699508.db2.gz LCMZUUMSORSJLF-QGZVFWFLSA-N 1 2 355.438 4.225 20 30 FIEDLO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000448009880 1109699512 /nfs/dbraw/zinc/69/95/12/1109699512.db2.gz LCMZUUMSORSJLF-QGZVFWFLSA-N 1 2 355.438 4.225 20 30 FIEDLO CC(C)CCn1nc(C[NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000449488191 1110091102 /nfs/dbraw/zinc/09/11/02/1110091102.db2.gz DKRJLTAUJAAOKB-UHFFFAOYSA-N 1 2 350.441 4.383 20 30 FIEDLO N#CCc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000529468438 1110273750 /nfs/dbraw/zinc/27/37/50/1110273750.db2.gz OBLIFBVJJPKIOM-LJQANCHMSA-N 1 2 353.853 4.009 20 30 FIEDLO N#CCc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000529468438 1110273752 /nfs/dbraw/zinc/27/37/52/1110273752.db2.gz OBLIFBVJJPKIOM-LJQANCHMSA-N 1 2 353.853 4.009 20 30 FIEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000538368397 1111112366 /nfs/dbraw/zinc/11/23/66/1111112366.db2.gz DCMFTOBNPAHDFI-VDGAXYAQSA-N 1 2 352.482 4.156 20 30 FIEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000538668264 1111240026 /nfs/dbraw/zinc/24/00/26/1111240026.db2.gz TZHLSWWIBCPDLA-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000538668264 1111240029 /nfs/dbraw/zinc/24/00/29/1111240029.db2.gz TZHLSWWIBCPDLA-KRWDZBQOSA-N 1 2 367.472 4.243 20 30 FIEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(F)(F)F ZINC000538763533 1111290687 /nfs/dbraw/zinc/29/06/87/1111290687.db2.gz ISHTUGYVMVQBOA-ZDUSSCGKSA-N 1 2 356.388 4.150 20 30 FIEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(F)(F)F ZINC000538763533 1111290690 /nfs/dbraw/zinc/29/06/90/1111290690.db2.gz ISHTUGYVMVQBOA-ZDUSSCGKSA-N 1 2 356.388 4.150 20 30 FIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)n2)cc1F ZINC000552977479 1111873868 /nfs/dbraw/zinc/87/38/68/1111873868.db2.gz MRFCXVBLGZUKEZ-KGLIPLIRSA-N 1 2 350.397 4.468 20 30 FIEDLO Cn1ccc([C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)n1 ZINC000553002652 1111879383 /nfs/dbraw/zinc/87/93/83/1111879383.db2.gz BZRDJYHILDIBDG-IFMALSPDSA-N 1 2 360.436 4.187 20 30 FIEDLO C=C(C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000478908058 1111914583 /nfs/dbraw/zinc/91/45/83/1111914583.db2.gz IETUOVMSPKLMJJ-FQEVSTJZSA-N 1 2 367.399 4.257 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622045 1112514256 /nfs/dbraw/zinc/51/42/56/1112514256.db2.gz VMSGQQRMHIZAHV-ZWKOTPCHSA-N 1 2 364.892 4.477 20 30 FIEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000480622045 1112514262 /nfs/dbraw/zinc/51/42/62/1112514262.db2.gz VMSGQQRMHIZAHV-ZWKOTPCHSA-N 1 2 364.892 4.477 20 30 FIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000481416609 1112935367 /nfs/dbraw/zinc/93/53/67/1112935367.db2.gz QEMGVIQNGSAYFX-QHCPKHFHSA-N 1 2 369.443 4.443 20 30 FIEDLO CC1(c2cccc(Cl)c2)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000483239580 1113469564 /nfs/dbraw/zinc/46/95/64/1113469564.db2.gz FZZJILSYTKWASE-UHFFFAOYSA-N 1 2 373.909 4.265 20 30 FIEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C#N ZINC000486797974 1113648602 /nfs/dbraw/zinc/64/86/02/1113648602.db2.gz FOOHOYODUWYOHG-UHFFFAOYSA-N 1 2 362.260 4.244 20 30 FIEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C#N ZINC000486797974 1113648605 /nfs/dbraw/zinc/64/86/05/1113648605.db2.gz FOOHOYODUWYOHG-UHFFFAOYSA-N 1 2 362.260 4.244 20 30 FIEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000175182182 1113998684 /nfs/dbraw/zinc/99/86/84/1113998684.db2.gz WEXIXMQAZUUQMY-OAHLLOKOSA-N 1 2 353.466 4.448 20 30 FIEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000489493784 1114122519 /nfs/dbraw/zinc/12/25/19/1114122519.db2.gz SZZCMMUXKHRNHM-QGZVFWFLSA-N 1 2 354.498 4.071 20 30 FIEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000489493784 1114122521 /nfs/dbraw/zinc/12/25/21/1114122521.db2.gz SZZCMMUXKHRNHM-QGZVFWFLSA-N 1 2 354.498 4.071 20 30 FIEDLO CCC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033053 1114205617 /nfs/dbraw/zinc/20/56/17/1114205617.db2.gz PBWSBYQCEXAVMC-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033053 1114205618 /nfs/dbraw/zinc/20/56/18/1114205618.db2.gz PBWSBYQCEXAVMC-INIZCTEOSA-N 1 2 353.441 4.245 20 30 FIEDLO Fc1cc2[nH]c([N-][NH+]=Cc3ccc(N4CCCCC4)s3)[nH+]c2cc1F ZINC000912825133 1114215892 /nfs/dbraw/zinc/21/58/92/1114215892.db2.gz GXJHSWUOXKYSIO-UHFFFAOYSA-N 1 2 361.421 4.339 20 30 FIEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(Br)cc2)s1 ZINC000912828095 1114219993 /nfs/dbraw/zinc/21/99/93/1114219993.db2.gz MSOMMFCIWNHHBW-UHFFFAOYSA-N 1 2 353.289 4.198 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000590182363 1114904965 /nfs/dbraw/zinc/90/49/65/1114904965.db2.gz STGXDDZTBRLMGQ-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000590182363 1114904968 /nfs/dbraw/zinc/90/49/68/1114904968.db2.gz STGXDDZTBRLMGQ-GOSISDBHSA-N 1 2 356.267 4.361 20 30 FIEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4cccc(Cl)c4)CCC3)o2)cc1 ZINC000592184442 1115221474 /nfs/dbraw/zinc/22/14/74/1115221474.db2.gz QFLRUARZTJLQLR-UHFFFAOYSA-N 1 2 364.836 4.431 20 30 FIEDLO CCCCn1c(SCCc2ccc(C#N)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000594880948 1115485314 /nfs/dbraw/zinc/48/53/14/1115485314.db2.gz HXVPLDPOACKBHA-SFHVURJKSA-N 1 2 371.554 4.297 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611935 1115553626 /nfs/dbraw/zinc/55/36/26/1115553626.db2.gz PPTNHMXQPHKWFW-NEPJUHHUSA-N 1 2 373.806 4.311 20 30 FIEDLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611935 1115553630 /nfs/dbraw/zinc/55/36/30/1115553630.db2.gz PPTNHMXQPHKWFW-NEPJUHHUSA-N 1 2 373.806 4.311 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595615772 1115554481 /nfs/dbraw/zinc/55/44/81/1115554481.db2.gz NSONNCYTPKHHCO-HOTGVXAUSA-N 1 2 368.506 4.071 20 30 FIEDLO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595615772 1115554483 /nfs/dbraw/zinc/55/44/83/1115554483.db2.gz NSONNCYTPKHHCO-HOTGVXAUSA-N 1 2 368.506 4.071 20 30 FIEDLO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@@H](C)C#N ZINC000595820623 1115563004 /nfs/dbraw/zinc/56/30/04/1115563004.db2.gz NQXHXAQBNFUSOY-AWEZNQCLSA-N 1 2 366.303 4.019 20 30 FIEDLO CC[N@@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@@H](C)C#N ZINC000595820623 1115563007 /nfs/dbraw/zinc/56/30/07/1115563007.db2.gz NQXHXAQBNFUSOY-AWEZNQCLSA-N 1 2 366.303 4.019 20 30 FIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596983799 1115632026 /nfs/dbraw/zinc/63/20/26/1115632026.db2.gz JYOASEVWXMFQKO-OAQYLSRUSA-N 1 2 372.472 4.241 20 30 FIEDLO N#Cc1cccc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 ZINC000602612936 1115716110 /nfs/dbraw/zinc/71/61/10/1115716110.db2.gz VRNAIEPUJBFOJR-KRWDZBQOSA-N 1 2 364.449 4.383 20 30 FIEDLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000603934167 1115834082 /nfs/dbraw/zinc/83/40/82/1115834082.db2.gz IKWBWOLEHDCNJW-OAHLLOKOSA-N 1 2 367.880 4.053 20 30 FIEDLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000603934167 1115834083 /nfs/dbraw/zinc/83/40/83/1115834083.db2.gz IKWBWOLEHDCNJW-OAHLLOKOSA-N 1 2 367.880 4.053 20 30 FIEDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000604493265 1115867881 /nfs/dbraw/zinc/86/78/81/1115867881.db2.gz AOLVFEIOMPNREN-UHFFFAOYSA-N 1 2 359.832 4.201 20 30 FIEDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1F ZINC000604493265 1115867884 /nfs/dbraw/zinc/86/78/84/1115867884.db2.gz AOLVFEIOMPNREN-UHFFFAOYSA-N 1 2 359.832 4.201 20 30 FIEDLO N#Cc1ccc(C2([NH2+]Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CCC2)cc1 ZINC000594033395 1115966967 /nfs/dbraw/zinc/96/69/67/1115966967.db2.gz OUHFZAXPUYCKSF-UHFFFAOYSA-N 1 2 364.836 4.029 20 30 FIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300363 1116038724 /nfs/dbraw/zinc/03/87/24/1116038724.db2.gz AIULXNYCANHRED-QHCPKHFHSA-N 1 2 361.489 4.060 20 30 FIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300363 1116038726 /nfs/dbraw/zinc/03/87/26/1116038726.db2.gz AIULXNYCANHRED-QHCPKHFHSA-N 1 2 361.489 4.060 20 30 FIEDLO C=C[C@@H](CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000534678132 1116226298 /nfs/dbraw/zinc/22/62/98/1116226298.db2.gz LYLFNQIFBADZCR-OALUTQOASA-N 1 2 364.489 4.378 20 30 FIEDLO C=CCOc1ccccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535288507 1116291142 /nfs/dbraw/zinc/29/11/42/1116291142.db2.gz JUECLZJGUIJUSU-UHFFFAOYSA-N 1 2 371.440 4.419 20 30 FIEDLO C[C@H](c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000064138221 1116360222 /nfs/dbraw/zinc/36/02/22/1116360222.db2.gz QRYUOUXRMLNQOY-MRXNPFEDSA-N 1 2 371.431 4.038 20 30 FIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cc2ccccc2o1 ZINC000175183587 1119183039 /nfs/dbraw/zinc/18/30/39/1119183039.db2.gz ZPPNBYYDNBIRRJ-UHFFFAOYSA-N 1 2 365.458 4.119 20 30 FIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cc2ccccc2o1 ZINC000175183587 1119183043 /nfs/dbraw/zinc/18/30/43/1119183043.db2.gz ZPPNBYYDNBIRRJ-UHFFFAOYSA-N 1 2 365.458 4.119 20 30 FIEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccc(OC)cc1 ZINC000187331864 1119777873 /nfs/dbraw/zinc/77/78/73/1119777873.db2.gz MTDNXNVXKRAALU-UHFFFAOYSA-N 1 2 366.490 4.444 20 30 FIEDLO C[C@@H](c1nnc(SCC2(C#N)CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000915465711 1120951803 /nfs/dbraw/zinc/95/18/03/1120951803.db2.gz IHDCQNZKQYZHHC-AWEZNQCLSA-N 1 2 373.501 4.205 20 30 FIEDLO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+](Cc2ccccn2)CC1 ZINC000915982795 1121363272 /nfs/dbraw/zinc/36/32/72/1121363272.db2.gz CNICKLVXHUFIHU-JJFYIABZSA-N 1 2 364.276 4.178 20 30 FIEDLO CC[N@H+](CCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000917130348 1122186718 /nfs/dbraw/zinc/18/67/18/1122186718.db2.gz GYFRZBYRKXHBEG-QGZVFWFLSA-N 1 2 363.486 4.037 20 30 FIEDLO CC[N@@H+](CCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000917130348 1122186723 /nfs/dbraw/zinc/18/67/23/1122186723.db2.gz GYFRZBYRKXHBEG-QGZVFWFLSA-N 1 2 363.486 4.037 20 30 FIEDLO N#CCC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC000130541478 1122423638 /nfs/dbraw/zinc/42/36/38/1122423638.db2.gz ZPKZNTKLUSBTRV-MRXNPFEDSA-N 1 2 373.250 4.312 20 30 FIEDLO C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000130907729 1122951018 /nfs/dbraw/zinc/95/10/18/1122951018.db2.gz UCXLARMCICIOTI-YZGWKJHDSA-N 1 2 352.482 4.183 20 30 FIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000131034491 1122966025 /nfs/dbraw/zinc/96/60/25/1122966025.db2.gz KMOUISRRNRMODR-UYAOXDASSA-N 1 2 366.509 4.092 20 30 FIEDLO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cccs1 ZINC000499057331 1123179364 /nfs/dbraw/zinc/17/93/64/1123179364.db2.gz UHFGSELWDILLKG-FQEVSTJZSA-N 1 2 354.519 4.272 20 30 FIEDLO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1cccs1 ZINC000499057331 1123179368 /nfs/dbraw/zinc/17/93/68/1123179368.db2.gz UHFGSELWDILLKG-FQEVSTJZSA-N 1 2 354.519 4.272 20 30 FIEDLO N#Cc1ccncc1N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000556956626 1123263378 /nfs/dbraw/zinc/26/33/78/1123263378.db2.gz IWEOIQPGOQVDNL-UHFFFAOYSA-N 1 2 368.893 4.144 20 30 FIEDLO Cc1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000920479116 1123466837 /nfs/dbraw/zinc/46/68/37/1123466837.db2.gz KNVUTYVSUDUSQQ-UHFFFAOYSA-N 1 2 355.239 4.389 20 30 FIEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC1CC1 ZINC000081044933 1123981553 /nfs/dbraw/zinc/98/15/53/1123981553.db2.gz XYDIQJSTVWTHHU-UHFFFAOYSA-N 1 2 355.869 4.440 20 30 FIEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC1CC1 ZINC000081044933 1123981555 /nfs/dbraw/zinc/98/15/55/1123981555.db2.gz XYDIQJSTVWTHHU-UHFFFAOYSA-N 1 2 355.869 4.440 20 30 FIEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000301117335 1124194488 /nfs/dbraw/zinc/19/44/88/1124194488.db2.gz WZNMZUIMYBZQMH-UHFFFAOYSA-N 1 2 353.223 4.119 20 30 FIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000553912210 1124206685 /nfs/dbraw/zinc/20/66/85/1124206685.db2.gz HFBDZECMUMEYAP-UHFFFAOYSA-N 1 2 356.267 4.095 20 30 FIEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1c(C#N)cnc3ccc(Cl)cc31)C2 ZINC000301401668 1124227343 /nfs/dbraw/zinc/22/73/43/1124227343.db2.gz QMZBWWWOALLMOE-UHFFFAOYSA-N 1 2 365.868 4.179 20 30 FIEDLO CN(C)c1ccc([NH+]2CCC(Nc3cc(Cl)ccc3C#N)CC2)cc1 ZINC000301469879 1124232500 /nfs/dbraw/zinc/23/25/00/1124232500.db2.gz SFFFALIYEMMHGV-UHFFFAOYSA-N 1 2 354.885 4.359 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000246064696 1124333237 /nfs/dbraw/zinc/33/32/37/1124333237.db2.gz BOKVEPNFJDLJPD-CTNGQTDRSA-N 1 2 367.518 4.098 20 30 FIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000246064696 1124333243 /nfs/dbraw/zinc/33/32/43/1124333243.db2.gz BOKVEPNFJDLJPD-CTNGQTDRSA-N 1 2 367.518 4.098 20 30 FIEDLO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F ZINC000616749100 1124366311 /nfs/dbraw/zinc/36/63/11/1124366311.db2.gz MPZGJTBNMJRUBD-VXGBXAGGSA-N 1 2 354.269 4.260 20 30 FIEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000249871049 1124883007 /nfs/dbraw/zinc/88/30/07/1124883007.db2.gz GFAGZQQTXSOLHW-IOMROCGXSA-N 1 2 370.443 4.186 20 30 FIEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000249871049 1124883019 /nfs/dbraw/zinc/88/30/19/1124883019.db2.gz GFAGZQQTXSOLHW-IOMROCGXSA-N 1 2 370.443 4.186 20 30 FIEDLO COCC[N@H+](Cc1nc(-c2ccccc2)oc1C)Cc1ccc(C#N)cc1 ZINC000063753941 1124947887 /nfs/dbraw/zinc/94/78/87/1124947887.db2.gz BRXQKUOEVQQKAB-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO COCC[N@@H+](Cc1nc(-c2ccccc2)oc1C)Cc1ccc(C#N)cc1 ZINC000063753941 1124947889 /nfs/dbraw/zinc/94/78/89/1124947889.db2.gz BRXQKUOEVQQKAB-UHFFFAOYSA-N 1 2 361.445 4.170 20 30 FIEDLO CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000601809852 567845542 /nfs/dbraw/zinc/84/55/42/567845542.db2.gz RLEHEZXFFBKDIB-WMLDXEAASA-N 1 2 355.825 4.292 20 30 FIEDLO N#CC1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000602668187 568014268 /nfs/dbraw/zinc/01/42/68/568014268.db2.gz BXPHJKMBNYVRKY-UHFFFAOYSA-N 1 2 364.371 4.013 20 30 FIEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602691446 568015294 /nfs/dbraw/zinc/01/52/94/568015294.db2.gz GIXITVILSJCOKQ-CXAGYDPISA-N 1 2 362.399 4.304 20 30 FIEDLO CCCCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1[C@@H](CC)[NH+](C)C ZINC000604056233 568207358 /nfs/dbraw/zinc/20/73/58/568207358.db2.gz VJUVBZGGODEQRW-QZTJIDSGSA-N 1 2 371.554 4.318 20 30 FIEDLO C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cc2ccccc2o1 ZINC000330324118 568240037 /nfs/dbraw/zinc/24/00/37/568240037.db2.gz IDSFTPZRGWTZIB-ZBQZNYHESA-N 1 2 353.422 4.147 20 30 FIEDLO Cc1noc([C@H](C)[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000569379794 568396795 /nfs/dbraw/zinc/39/67/95/568396795.db2.gz RFMVYAWYVPEEFC-HNNXBMFYSA-N 1 2 362.433 4.022 20 30 FIEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000569379794 568396796 /nfs/dbraw/zinc/39/67/96/568396796.db2.gz RFMVYAWYVPEEFC-HNNXBMFYSA-N 1 2 362.433 4.022 20 30 FIEDLO COc1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1C#N ZINC000570014959 568440726 /nfs/dbraw/zinc/44/07/26/568440726.db2.gz SFMDJPRQBOCWEX-QFIPXVFZSA-N 1 2 371.440 4.036 20 30 FIEDLO