smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000186214372 712712495 /nfs/dbraw/zinc/71/24/95/712712495.db2.gz RAOLOCVXSQSPPD-IBGZPJMESA-N 1 0 355.507 3.434 10 30 FGEERO COc1c2c(cc3c1[C@H](CC(=O)/C=C\c1ccco1)[N+](C)(C)CC3)OCO2 ZINC000097494963 717142044 /nfs/dbraw/zinc/14/20/44/717142044.db2.gz UGHOMKHHLXDQAD-TUYSUELWSA-N 1 0 370.425 3.363 10 30 FGEERO C=CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000014958448 494330627 /nfs/dbraw/zinc/33/06/27/494330627.db2.gz OXNTVVMQXVUVHB-OAQYLSRUSA-N 1 0 358.482 3.094 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000079306690 494434152 /nfs/dbraw/zinc/43/41/52/494434152.db2.gz HIFGZPIJWRTGPB-LSDHHAIUSA-N 1 0 359.470 3.086 10 30 FGEERO Cn1cc([C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)cn1 ZINC000128377227 495087387 /nfs/dbraw/zinc/08/73/87/495087387.db2.gz SEHACKUEFFRDGR-GOSISDBHSA-N 1 0 360.465 3.187 10 30 FGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000106210895 495430760 /nfs/dbraw/zinc/43/07/60/495430760.db2.gz VJTXWBNGOWQPQP-OAHLLOKOSA-N 1 0 357.483 3.136 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176719638 495762796 /nfs/dbraw/zinc/76/27/96/495762796.db2.gz PGGDLRDJBBAVEJ-WFASDCNBSA-N 1 0 371.462 3.093 10 30 FGEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000180024258 495827339 /nfs/dbraw/zinc/82/73/39/495827339.db2.gz CKLJDXXPNUMVKB-MAUKXSAKSA-N 1 0 352.438 3.402 10 30 FGEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171606820 495945542 /nfs/dbraw/zinc/94/55/42/495945542.db2.gz VGHYCXMIDPXZMB-IBGZPJMESA-N 1 0 374.406 3.346 10 30 FGEERO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172139870 496180445 /nfs/dbraw/zinc/18/04/45/496180445.db2.gz HZZYSZIGCODURY-HXUWFJFHSA-N 1 0 361.445 3.057 10 30 FGEERO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173314110 496638784 /nfs/dbraw/zinc/63/87/84/496638784.db2.gz WANYJATUHMPDMH-YVEFUNNKSA-N 1 0 357.845 3.109 10 30 FGEERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000192240592 497045404 /nfs/dbraw/zinc/04/54/04/497045404.db2.gz UCWIWHFWZORWNM-UHFFFAOYSA-N 1 0 372.513 3.203 10 30 FGEERO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1 ZINC000189918735 497293376 /nfs/dbraw/zinc/29/33/76/497293376.db2.gz GDVVEDRIAYHDFP-MRXNPFEDSA-N 1 0 359.433 3.423 10 30 FGEERO COc1ccc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1C#N ZINC000190467886 497491343 /nfs/dbraw/zinc/49/13/43/497491343.db2.gz IOCABMQSTVLBBZ-QGZVFWFLSA-N 1 0 370.522 3.286 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000190496656 497505109 /nfs/dbraw/zinc/50/51/09/497505109.db2.gz WLCUXMWSUNHISJ-IBGZPJMESA-N 1 0 357.498 3.186 10 30 FGEERO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245858216 497552318 /nfs/dbraw/zinc/55/23/18/497552318.db2.gz PORIWCUHKWFHSP-QFBILLFUSA-N 1 0 363.465 3.337 10 30 FGEERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245935721 497577531 /nfs/dbraw/zinc/57/75/31/497577531.db2.gz KWCTXMZUIBMAOK-CXAGYDPISA-N 1 0 371.872 3.208 10 30 FGEERO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C#N)n3)c(C)c2)CC1 ZINC000302690661 498534590 /nfs/dbraw/zinc/53/45/90/498534590.db2.gz CIRRNVVJAMUTTP-UHFFFAOYSA-N 1 0 366.425 3.055 10 30 FGEERO COc1ccc(C[NH2+]C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc1C#N ZINC000328654384 498891690 /nfs/dbraw/zinc/89/16/90/498891690.db2.gz XIVQWCYVAFYUAY-ZDUSSCGKSA-N 1 0 364.371 3.134 10 30 FGEERO N#CC1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000381854128 499545357 /nfs/dbraw/zinc/54/53/57/499545357.db2.gz LOPAHFNYUWAAPI-XUVXKRRUSA-N 1 0 351.494 3.487 10 30 FGEERO O=C(C[n+]1ccc(/C=N\O)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001920018 527195347 /nfs/dbraw/zinc/19/53/47/527195347.db2.gz APXNXSVJZCIRGF-UHFFFAOYSA-O 1 0 360.437 3.011 10 30 FGEERO C=C(Br)CN1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000190360279 712812837 /nfs/dbraw/zinc/81/28/37/712812837.db2.gz POPRBKOCHRZIAT-UHFFFAOYSA-N 1 0 361.324 3.023 10 30 FGEERO CC[NH+]=C(NCCc1ccc(Cl)s1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262436285 713725491 /nfs/dbraw/zinc/72/54/91/713725491.db2.gz GIIIDHKQTBSSEN-ZDUSSCGKSA-N 1 0 365.934 3.133 10 30 FGEERO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048159644 493794359 /nfs/dbraw/zinc/79/43/59/493794359.db2.gz VAUFFUXOMZEQLL-IBGZPJMESA-N 1 0 366.465 3.027 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000079306696 494434236 /nfs/dbraw/zinc/43/42/36/494434236.db2.gz HIFGZPIJWRTGPB-HUUCEWRRSA-N 1 0 359.470 3.086 10 30 FGEERO C=CCc1cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc(OC)c1O ZINC000092813916 494762387 /nfs/dbraw/zinc/76/23/87/494762387.db2.gz FSBBZPCODPCHLU-HNNXBMFYSA-N 1 0 357.454 3.275 10 30 FGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000103473964 495238666 /nfs/dbraw/zinc/23/86/66/495238666.db2.gz LBUPOUATIVUSHR-SFHVURJKSA-N 1 0 363.465 3.024 10 30 FGEERO COc1ccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)cc1C#N ZINC000135053645 495244902 /nfs/dbraw/zinc/24/49/02/495244902.db2.gz OLFINKWEVJGOOT-GOSISDBHSA-N 1 0 371.506 3.134 10 30 FGEERO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120195992 495325904 /nfs/dbraw/zinc/32/59/04/495325904.db2.gz RHEJFPHJNQTYSO-IBGZPJMESA-N 1 0 365.481 3.260 10 30 FGEERO C=CCOc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000120221011 495330663 /nfs/dbraw/zinc/33/06/63/495330663.db2.gz FAZMNFLNISIADB-SFHVURJKSA-N 1 0 368.481 3.151 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184974 495896046 /nfs/dbraw/zinc/89/60/46/495896046.db2.gz FYOOJMWZXDKGBC-TZIWHRDSSA-N 1 0 350.466 3.086 10 30 FGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180339699 495958305 /nfs/dbraw/zinc/95/83/05/495958305.db2.gz KPVQDSQUMBKYBD-HXUWFJFHSA-N 1 0 351.498 3.169 10 30 FGEERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1CC ZINC000160599180 496001089 /nfs/dbraw/zinc/00/10/89/496001089.db2.gz AUBMKTALLMITIE-PMACEKPBSA-N 1 0 372.513 3.174 10 30 FGEERO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000180694678 496107482 /nfs/dbraw/zinc/10/74/82/496107482.db2.gz LCTXVCOQHCMTEV-WBVHZDCISA-N 1 0 365.543 3.474 10 30 FGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000156582580 496284528 /nfs/dbraw/zinc/28/45/28/496284528.db2.gz ASSBWFQEOCBGOA-FQEVSTJZSA-N 1 0 373.545 3.008 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247346378 496842073 /nfs/dbraw/zinc/84/20/73/496842073.db2.gz XWBBFMLKEDTYSR-ZWOKBUDYSA-N 1 0 362.539 3.278 10 30 FGEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247523230 496880781 /nfs/dbraw/zinc/88/07/81/496880781.db2.gz WWYWJRDWXKOWKU-WBVHZDCISA-N 1 0 365.433 3.039 10 30 FGEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262428133 713725264 /nfs/dbraw/zinc/72/52/64/713725264.db2.gz RZDNLYZDGJOBLC-MMCPYJTDSA-N 1 0 361.452 3.334 10 30 FGEERO C[N+](C)(C)CCn1c2ccccc2nc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000005986512 717102535 /nfs/dbraw/zinc/10/25/35/717102535.db2.gz DSLVYWOWUUFMNJ-XSFVSMFZSA-N 1 0 352.418 3.401 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000121879891 494881103 /nfs/dbraw/zinc/88/11/03/494881103.db2.gz UYBARCOIHQTEIX-QGZVFWFLSA-N 1 0 369.431 3.500 10 30 FGEERO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127829585 495004884 /nfs/dbraw/zinc/00/48/84/495004884.db2.gz YNCUQSNAVYRSRN-HOTGVXAUSA-N 1 0 362.543 3.454 10 30 FGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1)C(C)C ZINC000111823277 495116000 /nfs/dbraw/zinc/11/60/00/495116000.db2.gz ITLSJENLAOMXEG-PMACEKPBSA-N 1 0 373.545 3.237 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)C(C)C ZINC000111823279 495116456 /nfs/dbraw/zinc/11/64/56/495116456.db2.gz ITLSJENLAOMXEG-WOJBJXKFSA-N 1 0 373.545 3.237 10 30 FGEERO CCc1nnc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1CC ZINC000124115225 495236095 /nfs/dbraw/zinc/23/60/95/495236095.db2.gz ZDTBSHPUOQVWFV-OAHLLOKOSA-N 1 0 350.470 3.115 10 30 FGEERO Cc1ncc(CN2CCN(Cc3cccc(OCCCC#N)c3)CC2)s1 ZINC000120435120 495377341 /nfs/dbraw/zinc/37/73/41/495377341.db2.gz XRFLZFVFJMMLPU-UHFFFAOYSA-N 1 0 370.522 3.452 10 30 FGEERO CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000177132121 495940310 /nfs/dbraw/zinc/94/03/10/495940310.db2.gz ZPRNMANPPKQRJS-SFHVURJKSA-N 1 0 354.416 3.100 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177184954 495966182 /nfs/dbraw/zinc/96/61/82/495966182.db2.gz FDAVHXBLIHAAJS-ZWKOTPCHSA-N 1 0 364.493 3.296 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000184054465 496219974 /nfs/dbraw/zinc/21/99/74/496219974.db2.gz AVSHOAUETHBGRN-RBUKOAKNSA-N 1 0 357.498 3.436 10 30 FGEERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178674747 496536634 /nfs/dbraw/zinc/53/66/34/496536634.db2.gz YZMBFVQGWDZAIH-WMLDXEAASA-N 1 0 358.442 3.367 10 30 FGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000191515173 496793782 /nfs/dbraw/zinc/79/37/82/496793782.db2.gz ONYUBUIABXYDRU-DLBZAZTESA-N 1 0 359.514 3.457 10 30 FGEERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780545 496887309 /nfs/dbraw/zinc/88/73/09/496887309.db2.gz RVXOBLWXWVYASE-AWEZNQCLSA-N 1 0 374.286 3.312 10 30 FGEERO C[NH+](C)C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000193051174 497287905 /nfs/dbraw/zinc/28/79/05/497287905.db2.gz COKRZHRZEUUZPK-QFIPXVFZSA-N 1 0 363.505 3.149 10 30 FGEERO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189904647 497287936 /nfs/dbraw/zinc/28/79/36/497287936.db2.gz DKWFGUUDLGLUSV-SFHVURJKSA-N 1 0 373.460 3.470 10 30 FGEERO CCOCC[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H]1CC ZINC000246279006 497682067 /nfs/dbraw/zinc/68/20/67/497682067.db2.gz AUBMKTALLMITIE-WOJBJXKFSA-N 1 0 372.513 3.174 10 30 FGEERO CC[NH+]=C(NCc1cn2cc(Br)ccc2n1)N[C@@H](C)C(C)C ZINC000263273839 497746955 /nfs/dbraw/zinc/74/69/55/497746955.db2.gz XTRQQLQKGIGHKT-LBPRGKRZSA-N 1 0 366.307 3.196 10 30 FGEERO CC[NH+]1CCN(c2cc(CNc3ccc(Cl)cc3C#N)ccn2)CC1 ZINC000301184237 497989810 /nfs/dbraw/zinc/98/98/10/497989810.db2.gz IZZKWNSKQAOWKV-UHFFFAOYSA-N 1 0 355.873 3.361 10 30 FGEERO Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000301278562 498035575 /nfs/dbraw/zinc/03/55/75/498035575.db2.gz JQKJTLJLHWXLKH-LJQANCHMSA-N 1 0 373.464 3.116 10 30 FGEERO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000301570428 498168188 /nfs/dbraw/zinc/16/81/88/498168188.db2.gz QYLRAQYUFYDOIO-IYBDPMFKSA-N 1 0 372.469 3.182 10 30 FGEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099028 518311111 /nfs/dbraw/zinc/31/11/11/518311111.db2.gz JMMIMLRQVDACAD-JOCHJYFZSA-N 1 0 355.453 3.455 10 30 FGEERO CCOC(=NC(=O)c1ccc(OC)cc1)N[C@H](C)CCC[NH+](CC)CC ZINC000004513632 493880542 /nfs/dbraw/zinc/88/05/42/493880542.db2.gz KPKCQAOAVJLTBK-MRXNPFEDSA-N 1 0 363.502 3.328 10 30 FGEERO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000092814140 494762269 /nfs/dbraw/zinc/76/22/69/494762269.db2.gz WUJILSHOIKUXFA-GOSISDBHSA-N 1 0 353.470 3.183 10 30 FGEERO C=CCOc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1Cl ZINC000121542879 494796942 /nfs/dbraw/zinc/79/69/42/494796942.db2.gz JXHVOVNFRUUWHG-UHFFFAOYSA-N 1 0 374.916 3.346 10 30 FGEERO Cc1cc(C#N)ccc1C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000127960035 495023043 /nfs/dbraw/zinc/02/30/43/495023043.db2.gz DLWFPPDPLALAKR-CRAIPNDOSA-N 1 0 369.490 3.120 10 30 FGEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCCN3Cc3ccccc3)n2c1 ZINC000123499094 495142256 /nfs/dbraw/zinc/14/22/56/495142256.db2.gz NMYHWSAEWAAFND-HXUWFJFHSA-N 1 0 359.477 3.350 10 30 FGEERO C=C(C)CN(CC)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173494997 495557463 /nfs/dbraw/zinc/55/74/63/495557463.db2.gz KTAONVCJNVXEML-HXUWFJFHSA-N 1 0 359.514 3.040 10 30 FGEERO N#CCSCCC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000173886440 495732584 /nfs/dbraw/zinc/73/25/84/495732584.db2.gz FKMAKUAEWSQDTK-UHFFFAOYSA-N 1 0 356.495 3.106 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000155782743 496067478 /nfs/dbraw/zinc/06/74/78/496067478.db2.gz HBKZKRKFBIAFAJ-BEFAXECRSA-N 1 0 367.449 3.189 10 30 FGEERO N#Cc1cccc(OCc2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000172217404 496213100 /nfs/dbraw/zinc/21/31/00/496213100.db2.gz GJEOYQYTXNFVTR-HXUWFJFHSA-N 1 0 361.445 3.057 10 30 FGEERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181053293 496254108 /nfs/dbraw/zinc/25/41/08/496254108.db2.gz GYIRVNHYRCEJTL-OAHLLOKOSA-N 1 0 374.286 3.312 10 30 FGEERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000175550922 496438212 /nfs/dbraw/zinc/43/82/12/496438212.db2.gz BNSHCOIVGCXIBC-KRWDZBQOSA-N 1 0 351.475 3.486 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000195261044 496865950 /nfs/dbraw/zinc/86/59/50/496865950.db2.gz MNLWCPFWLDTXRQ-MRXNPFEDSA-N 1 0 358.486 3.416 10 30 FGEERO N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000245518605 497438592 /nfs/dbraw/zinc/43/85/92/497438592.db2.gz HVAIFXJTQGNQIB-ZBFHGGJFSA-N 1 0 351.372 3.328 10 30 FGEERO Cn1cc([C@@H](CNc2cc(C#N)c3cc(Cl)ccc3n2)[NH+](C)C)cn1 ZINC000301265573 498029018 /nfs/dbraw/zinc/02/90/18/498029018.db2.gz HOPBXSLRUOSPBE-QGZVFWFLSA-N 1 0 354.845 3.208 10 30 FGEERO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302261891 498461321 /nfs/dbraw/zinc/46/13/21/498461321.db2.gz PTPYQILQIGQGJO-AWEZNQCLSA-N 1 0 357.889 3.198 10 30 FGEERO N#Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000312645589 498761482 /nfs/dbraw/zinc/76/14/82/498761482.db2.gz DUURCZKIWKVILG-BHIFYINESA-N 1 0 359.473 3.128 10 30 FGEERO CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000328614136 498875988 /nfs/dbraw/zinc/87/59/88/498875988.db2.gz VLZPSJJLHHOYJP-IBGZPJMESA-N 1 0 351.410 3.317 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182276 494466770 /nfs/dbraw/zinc/46/67/70/494466770.db2.gz IAHKONMPLUYLLW-UONOGXRCSA-N 1 0 353.422 3.253 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182277 494466869 /nfs/dbraw/zinc/46/68/69/494466869.db2.gz IAHKONMPLUYLLW-ZIAGYGMSSA-N 1 0 353.422 3.253 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000121879737 494881168 /nfs/dbraw/zinc/88/11/68/494881168.db2.gz UYBARCOIHQTEIX-KRWDZBQOSA-N 1 0 369.431 3.500 10 30 FGEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000121942839 494895875 /nfs/dbraw/zinc/89/58/75/494895875.db2.gz REVLNIMGLSYCRX-FQEVSTJZSA-N 1 0 367.497 3.490 10 30 FGEERO N#Cc1cnc2ccccc2c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132962355 494948910 /nfs/dbraw/zinc/94/89/10/494948910.db2.gz WNUDRXOIBBKTGU-VQTJNVASSA-N 1 0 350.466 3.286 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3cc[nH]n3)CC1)CCC2 ZINC000103473450 495237374 /nfs/dbraw/zinc/23/73/74/495237374.db2.gz XESYMWFXLOOLFG-UHFFFAOYSA-N 1 0 369.494 3.040 10 30 FGEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000129623205 495271824 /nfs/dbraw/zinc/27/18/24/495271824.db2.gz RHHHMMAPPRGXAT-IBGZPJMESA-N 1 0 352.478 3.284 10 30 FGEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(OC)c1 ZINC000114484501 495383442 /nfs/dbraw/zinc/38/34/42/495383442.db2.gz PWDPKBAQRJZZFB-RBUKOAKNSA-N 1 0 371.481 3.114 10 30 FGEERO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCCO2 ZINC000120622451 495419742 /nfs/dbraw/zinc/41/97/42/495419742.db2.gz SHKXZKAFFKHJFL-GFCCVEGCSA-N 1 0 371.824 3.272 10 30 FGEERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154558016 495654424 /nfs/dbraw/zinc/65/44/24/495654424.db2.gz KWCTXMZUIBMAOK-GUYCJALGSA-N 1 0 371.872 3.208 10 30 FGEERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C12CCOCC2 ZINC000185666043 495670091 /nfs/dbraw/zinc/67/00/91/495670091.db2.gz PYEGLBMCTPGXAM-PMACEKPBSA-N 1 0 357.498 3.100 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175033991 496218272 /nfs/dbraw/zinc/21/82/72/496218272.db2.gz BAMOUMXDTWWALN-IAGOWNOFSA-N 1 0 360.889 3.099 10 30 FGEERO C[C@@H]1CN([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2cccs2)CCO1 ZINC000175056186 496229235 /nfs/dbraw/zinc/22/92/35/496229235.db2.gz SFZVZCBSUHWPNO-PBHICJAKSA-N 1 0 370.478 3.203 10 30 FGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247214182 496806717 /nfs/dbraw/zinc/80/67/17/496806717.db2.gz CMPSMROYUXIZTD-OZOXKJRCSA-N 1 0 363.461 3.473 10 30 FGEERO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000192006871 496961390 /nfs/dbraw/zinc/96/13/90/496961390.db2.gz DHMYXTIRVYSWJS-SFHVURJKSA-N 1 0 359.470 3.264 10 30 FGEERO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 ZINC000301570426 498168145 /nfs/dbraw/zinc/16/81/45/498168145.db2.gz QYLRAQYUFYDOIO-HZPDHXFCSA-N 1 0 372.469 3.182 10 30 FGEERO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)[NH+]1CCCC1 ZINC000302693428 498534391 /nfs/dbraw/zinc/53/43/91/498534391.db2.gz DARLSEPEZVVQTE-KRWDZBQOSA-N 1 0 367.409 3.119 10 30 FGEERO Cn1cc([C@@H]2CCC[NH2+]C2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21 ZINC000584628934 507434088 /nfs/dbraw/zinc/43/40/88/507434088.db2.gz ZQLDZSYVKBZAIJ-OAHLLOKOSA-N 1 0 359.433 3.164 10 30 FGEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000261809721 713714543 /nfs/dbraw/zinc/71/45/43/713714543.db2.gz SJFKILPFYCMRTH-UHFFFAOYSA-N 1 0 361.559 3.047 10 30 FGEERO C[NH+](C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000047859943 494782832 /nfs/dbraw/zinc/78/28/32/494782832.db2.gz KGNQXNCNWDVBEX-IBGZPJMESA-N 1 0 353.491 3.211 10 30 FGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114688338 495409181 /nfs/dbraw/zinc/40/91/81/495409181.db2.gz OKZOCYALXFVVNW-HXUWFJFHSA-N 1 0 363.461 3.351 10 30 FGEERO Cn1cc(C[NH+]2CCC(c3ccnn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180039605 495832291 /nfs/dbraw/zinc/83/22/91/495832291.db2.gz UARBWLIQCZUWCD-UHFFFAOYSA-N 1 0 360.465 3.072 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC000177501620 496087722 /nfs/dbraw/zinc/08/77/22/496087722.db2.gz NGIXVFJOTAMQER-INIZCTEOSA-N 1 0 361.490 3.080 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177702885 496164825 /nfs/dbraw/zinc/16/48/25/496164825.db2.gz HWBMHMPSXPLJNK-DLBZAZTESA-N 1 0 374.554 3.293 10 30 FGEERO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000157128581 496412210 /nfs/dbraw/zinc/41/22/10/496412210.db2.gz NLZNKOBOQSWUJO-LBPRGKRZSA-N 1 0 355.251 3.102 10 30 FGEERO CCCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccc([N+](=O)[O-])c1 ZINC000225407674 497061293 /nfs/dbraw/zinc/06/12/93/497061293.db2.gz JQURGQMFLUBMJA-NWRYFCBHSA-N 1 0 354.477 3.264 10 30 FGEERO C=CCOc1c(Br)cc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000261946464 497481437 /nfs/dbraw/zinc/48/14/37/497481437.db2.gz FJZOGMLTWXXQSP-WFASDCNBSA-N 1 0 369.303 3.192 10 30 FGEERO COc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1C#N ZINC000190467862 497491880 /nfs/dbraw/zinc/49/18/80/497491880.db2.gz IOCABMQSTVLBBZ-KRWDZBQOSA-N 1 0 370.522 3.286 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000190496635 497504620 /nfs/dbraw/zinc/50/46/20/497504620.db2.gz WLCUXMWSUNHISJ-LJQANCHMSA-N 1 0 357.498 3.186 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190518964 497514222 /nfs/dbraw/zinc/51/42/22/497514222.db2.gz ZFUNUOPZVVZVCN-AWEZNQCLSA-N 1 0 372.469 3.056 10 30 FGEERO C=CCOc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190614928 497546716 /nfs/dbraw/zinc/54/67/16/497546716.db2.gz PFWANXBQWCKHPV-LJQANCHMSA-N 1 0 365.477 3.241 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000246091056 497618801 /nfs/dbraw/zinc/61/88/01/497618801.db2.gz NSQDNHZDFJYDEF-HKUYNNGSSA-N 1 0 374.916 3.145 10 30 FGEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(OC)c1 ZINC000246396458 497719816 /nfs/dbraw/zinc/71/98/16/497719816.db2.gz PWDPKBAQRJZZFB-OALUTQOASA-N 1 0 371.481 3.114 10 30 FGEERO N#Cc1ccnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301617928 498190428 /nfs/dbraw/zinc/19/04/28/498190428.db2.gz CQGXJHGSXSKIIG-KRWDZBQOSA-N 1 0 351.410 3.328 10 30 FGEERO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302261892 498461492 /nfs/dbraw/zinc/46/14/92/498461492.db2.gz PTPYQILQIGQGJO-CQSZACIVSA-N 1 0 357.889 3.198 10 30 FGEERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302528552 498502359 /nfs/dbraw/zinc/50/23/59/498502359.db2.gz KQSFOFVYBQJICZ-ZDUSSCGKSA-N 1 0 358.873 3.041 10 30 FGEERO [NH3+][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000379021605 499541694 /nfs/dbraw/zinc/54/16/94/499541694.db2.gz BHQOQQRTAKHIOB-XCBNKYQSSA-N 1 0 358.257 3.339 10 30 FGEERO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000086711017 700372432 /nfs/dbraw/zinc/37/24/32/700372432.db2.gz IMZYAROFJPRKCM-CHWSQXEVSA-N 1 0 367.481 3.185 10 30 FGEERO CC[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175576224 705552753 /nfs/dbraw/zinc/55/27/53/705552753.db2.gz HLOMLVMHNCJUST-LBPRGKRZSA-N 1 0 351.907 3.090 10 30 FGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182573583 705851223 /nfs/dbraw/zinc/85/12/23/705851223.db2.gz QCBZHDKMFPRTEZ-OLZOCXBDSA-N 1 0 352.276 3.108 10 30 FGEERO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000014752023 203859049 /nfs/dbraw/zinc/85/90/49/203859049.db2.gz LQROJIPDRCWWNW-GOSISDBHSA-N 1 0 370.541 3.284 10 30 FGEERO COc1ccc(-c2c(C#N)c(SC)nc3c2C[N@H+](C)CC3)cc1OC ZINC000040569863 205073433 /nfs/dbraw/zinc/07/34/33/205073433.db2.gz HKWPECFZHJKYEB-UHFFFAOYSA-N 1 0 355.463 3.347 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056182374 494466607 /nfs/dbraw/zinc/46/66/07/494466607.db2.gz WOFUDHMKQCVMDQ-KGLIPLIRSA-N 1 0 353.422 3.253 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182274 494466779 /nfs/dbraw/zinc/46/67/79/494466779.db2.gz IAHKONMPLUYLLW-KGLIPLIRSA-N 1 0 353.422 3.253 10 30 FGEERO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000159965980 495851698 /nfs/dbraw/zinc/85/16/98/495851698.db2.gz UYMMHEACVFNPLA-GOSISDBHSA-N 1 0 371.506 3.134 10 30 FGEERO CCO[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C12CCOCC2 ZINC000186284113 495927264 /nfs/dbraw/zinc/92/72/64/495927264.db2.gz MWYIAQNGNGETGC-RTBURBONSA-N 1 0 360.523 3.355 10 30 FGEERO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174704536 496070072 /nfs/dbraw/zinc/07/00/72/496070072.db2.gz GBAMYVPGBHVJRZ-CQSZACIVSA-N 1 0 351.406 3.009 10 30 FGEERO C[C@H]1CN([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2cccs2)CCO1 ZINC000175056202 496229651 /nfs/dbraw/zinc/22/96/51/496229651.db2.gz SFZVZCBSUHWPNO-YOEHRIQHSA-N 1 0 370.478 3.203 10 30 FGEERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000175550910 496438574 /nfs/dbraw/zinc/43/85/74/496438574.db2.gz BNSHCOIVGCXIBC-QGZVFWFLSA-N 1 0 351.475 3.486 10 30 FGEERO C=C[C@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188617549 496852562 /nfs/dbraw/zinc/85/25/62/496852562.db2.gz YRYRLIDPGZYHFT-IFMALSPDSA-N 1 0 358.526 3.493 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195262282 496866541 /nfs/dbraw/zinc/86/65/41/496866541.db2.gz MGJFQOFUAVRHAU-MRXNPFEDSA-N 1 0 358.486 3.416 10 30 FGEERO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507797 496945266 /nfs/dbraw/zinc/94/52/66/496945266.db2.gz UTCQKJVHIBXYJP-KRWDZBQOSA-N 1 0 365.481 3.233 10 30 FGEERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000192241406 497044767 /nfs/dbraw/zinc/04/47/67/497044767.db2.gz RRQMNBGPQZALID-UHFFFAOYSA-N 1 0 361.461 3.330 10 30 FGEERO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245105 497047442 /nfs/dbraw/zinc/04/74/42/497047442.db2.gz DMLAWTVFUPUIIH-HRAATJIYSA-N 1 0 363.461 3.061 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000190350862 497446255 /nfs/dbraw/zinc/44/62/55/497446255.db2.gz DXAOKHLUHXMNQJ-UHFFFAOYSA-N 1 0 357.498 3.186 10 30 FGEERO C#CCCOc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190473188 497494546 /nfs/dbraw/zinc/49/45/46/497494546.db2.gz RGFLYELAORBYPZ-QFIPXVFZSA-N 1 0 363.505 3.438 10 30 FGEERO CC[NH+]=C(NCc1cn2cc(Br)ccc2n1)N[C@H](C)C(C)C ZINC000263273838 497746827 /nfs/dbraw/zinc/74/68/27/497746827.db2.gz XTRQQLQKGIGHKT-GFCCVEGCSA-N 1 0 366.307 3.196 10 30 FGEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301713912 498235273 /nfs/dbraw/zinc/23/52/73/498235273.db2.gz IYNAEMBISSCHIF-JKSUJKDBSA-N 1 0 353.388 3.003 10 30 FGEERO Cc1ccc(N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nc1C#N ZINC000302680010 498530843 /nfs/dbraw/zinc/53/08/43/498530843.db2.gz WEQVWSRTCMFQCV-OAQYLSRUSA-N 1 0 364.493 3.144 10 30 FGEERO C=CC[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000005724705 493940816 /nfs/dbraw/zinc/94/08/16/493940816.db2.gz MXFUXDIRNTZHMJ-UHFFFAOYSA-N 1 0 362.065 3.234 10 30 FGEERO CCC[N@@H+]1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(COC)c3)c2C1 ZINC000072157764 494137871 /nfs/dbraw/zinc/13/78/71/494137871.db2.gz LYYZIYBFTYIJNT-UHFFFAOYSA-N 1 0 366.465 3.126 10 30 FGEERO Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CC[NH2+]CC4)o3)o2)c1 ZINC000040165767 494138914 /nfs/dbraw/zinc/13/89/14/494138914.db2.gz XMSOFJWZKGATGI-UHFFFAOYSA-N 1 0 364.405 3.103 10 30 FGEERO COc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1OCCCC#N ZINC000092810974 494755718 /nfs/dbraw/zinc/75/57/18/494755718.db2.gz VZMXRBXYVGWGEZ-UHFFFAOYSA-N 1 0 354.454 3.480 10 30 FGEERO CC(C)(CCC#N)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000093273186 494855483 /nfs/dbraw/zinc/85/54/83/494855483.db2.gz MUDHYAMHPVAEAI-UHFFFAOYSA-N 1 0 351.498 3.320 10 30 FGEERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000170855992 495628983 /nfs/dbraw/zinc/62/89/83/495628983.db2.gz AOTNGMSWRIWJSH-MRXNPFEDSA-N 1 0 351.475 3.486 10 30 FGEERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C12CCOCC2 ZINC000185666022 495669725 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363.461 3.475 10 30 FGEERO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068777 494436231 /nfs/dbraw/zinc/43/62/31/494436231.db2.gz YZMBFVQGWDZAIH-PBHICJAKSA-N 1 0 358.442 3.367 10 30 FGEERO N#Cc1ccc(NCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000109312711 494859036 /nfs/dbraw/zinc/85/90/36/494859036.db2.gz JEBPLWWPUXUFAJ-NRFANRHFSA-N 1 0 362.477 3.141 10 30 FGEERO C[N@H+](CCOc1ccccc1C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160165 495421325 /nfs/dbraw/zinc/42/13/25/495421325.db2.gz HTSKBMZWZHGSIL-SFHVURJKSA-N 1 0 371.506 3.004 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140474993 495495950 /nfs/dbraw/zinc/49/59/50/495495950.db2.gz XWBBFMLKEDTYSR-SQGPQFPESA-N 1 0 362.539 3.278 10 30 FGEERO C=CCCCN(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173500569 495560960 /nfs/dbraw/zinc/56/09/60/495560960.db2.gz ZMCURSUNWCRTLD-HXUWFJFHSA-N 1 0 359.514 3.040 10 30 FGEERO C[N@H+](CCCSCC#N)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173885684 495731194 /nfs/dbraw/zinc/73/11/94/495731194.db2.gz FXXBWKZOTHXBPJ-FQEVSTJZSA-N 1 0 361.555 3.011 10 30 FGEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062119 495841545 /nfs/dbraw/zinc/84/15/45/495841545.db2.gz LXGCIQCDSUKXQL-ABAIWWIYSA-N 1 0 369.387 3.146 10 30 FGEERO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000177263331 495999878 /nfs/dbraw/zinc/99/98/78/495999878.db2.gz PBEQMMLGPITVPZ-MBSDFSHPSA-N 1 0 361.489 3.378 10 30 FGEERO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172542538 496335736 /nfs/dbraw/zinc/33/57/36/496335736.db2.gz IUZNMAQPCXYFAU-CQSZACIVSA-N 1 0 354.372 3.190 10 30 FGEERO COc1cc(C#N)ccc1CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195254749 496863076 /nfs/dbraw/zinc/86/30/76/496863076.db2.gz QFOZOQTUYIQHPJ-QGZVFWFLSA-N 1 0 370.522 3.286 10 30 FGEERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195268344 496869502 /nfs/dbraw/zinc/86/95/02/496869502.db2.gz QXKWWYUCWQQUTE-GOSISDBHSA-N 1 0 370.522 3.156 10 30 FGEERO N#Cc1ccccc1COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195337555 496894801 /nfs/dbraw/zinc/89/48/01/496894801.db2.gz MUAYLJCIDIBVKL-FQEVSTJZSA-N 1 0 361.445 3.057 10 30 FGEERO C=CCC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000248493660 497026210 /nfs/dbraw/zinc/02/62/10/497026210.db2.gz PKIKTDIWOMRZFO-IHPCNDPISA-N 1 0 359.514 3.181 10 30 FGEERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000192241032 497045443 /nfs/dbraw/zinc/04/54/43/497045443.db2.gz VSVPXMNGNLVNSN-UHFFFAOYSA-N 1 0 361.461 3.330 10 30 FGEERO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237937614 497317013 /nfs/dbraw/zinc/31/70/13/497317013.db2.gz XDRMJFKLMSNCBU-FZMZJTMJSA-N 1 0 355.251 3.230 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000190442588 497482757 /nfs/dbraw/zinc/48/27/57/497482757.db2.gz XFIVHUIPGYFLJD-MRXNPFEDSA-N 1 0 369.494 3.309 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000245912612 497569332 /nfs/dbraw/zinc/56/93/32/497569332.db2.gz FYOOJMWZXDKGBC-PZJWPPBQSA-N 1 0 350.466 3.086 10 30 FGEERO Cc1ccc(N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1C#N ZINC000302680009 498530831 /nfs/dbraw/zinc/53/08/31/498530831.db2.gz WEQVWSRTCMFQCV-NRFANRHFSA-N 1 0 364.493 3.144 10 30 FGEERO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@@H+](C)CCCC)C2 ZINC000014745965 519287406 /nfs/dbraw/zinc/28/74/06/519287406.db2.gz QVSHJBXEKQCVRL-QGZVFWFLSA-N 1 0 358.530 3.284 10 30 FGEERO C[NH+]=C(NCc1csc2ccccc12)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262470973 713726266 /nfs/dbraw/zinc/72/62/66/713726266.db2.gz OWULYIMJRDIEJZ-CQSZACIVSA-N 1 0 353.495 3.200 10 30 FGEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(C(=O)NC)ccn1 ZINC000072424152 494170668 /nfs/dbraw/zinc/17/06/68/494170668.db2.gz HVSDPCMHGWFZNY-CEXWTWQISA-N 1 0 355.482 3.053 10 30 FGEERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000121992438 494905163 /nfs/dbraw/zinc/90/51/63/494905163.db2.gz MQOJBPGAPPAEEU-FQEVSTJZSA-N 1 0 366.513 3.157 10 30 FGEERO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000120089829 495304728 /nfs/dbraw/zinc/30/47/28/495304728.db2.gz NAHLXYSNBVHSSJ-GOSISDBHSA-N 1 0 359.470 3.264 10 30 FGEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120962054 495493103 /nfs/dbraw/zinc/49/31/03/495493103.db2.gz YNRKXVJVLIZPJO-QGZVFWFLSA-N 1 0 369.465 3.436 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180042742 495833821 /nfs/dbraw/zinc/83/38/21/495833821.db2.gz CRHPDENBHBYOKO-GOSISDBHSA-N 1 0 372.476 3.288 10 30 FGEERO Cc1cccc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1 ZINC000171652418 495971732 /nfs/dbraw/zinc/97/17/32/495971732.db2.gz ONBUXPZAPBZJKV-IRXDYDNUSA-N 1 0 363.465 3.023 10 30 FGEERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C1 ZINC000155584132 496003311 /nfs/dbraw/zinc/00/33/11/496003311.db2.gz OIHYFSVRBMWEFU-YJBOKZPZSA-N 1 0 367.449 3.189 10 30 FGEERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000195261507 496866791 /nfs/dbraw/zinc/86/67/91/496866791.db2.gz HTMVNGXHDVNMHX-GOSISDBHSA-N 1 0 370.522 3.156 10 30 FGEERO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237929412 497316150 /nfs/dbraw/zinc/31/61/50/497316150.db2.gz XDRMJFKLMSNCBU-RISCZKNCSA-N 1 0 355.251 3.230 10 30 FGEERO N#CC1CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000057880197 493811619 /nfs/dbraw/zinc/81/16/19/493811619.db2.gz PZBONEYCQDFXSU-OAQYLSRUSA-N 1 0 350.462 3.389 10 30 FGEERO C=CCC[C@H](CN1CCOCC1)Oc1ccc(C[NH+]2CCCCC2)cn1 ZINC000072434916 494175384 /nfs/dbraw/zinc/17/53/84/494175384.db2.gz ARNTZCWGDBDKFC-HXUWFJFHSA-N 1 0 359.514 3.113 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074130084 494486034 /nfs/dbraw/zinc/48/60/34/494486034.db2.gz WLKJEWQQHSMFDY-RTWAWAEBSA-N 1 0 371.525 3.325 10 30 FGEERO CC(C)c1nc2c(n1C)CCN(Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000123332777 495115959 /nfs/dbraw/zinc/11/59/59/495115959.db2.gz GTPXBAMGYKIUAI-UHFFFAOYSA-N 1 0 351.498 3.452 10 30 FGEERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000171246744 495787185 /nfs/dbraw/zinc/78/71/85/495787185.db2.gz BLKNKRSOIQAOPM-KRWDZBQOSA-N 1 0 353.470 3.189 10 30 FGEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180024228 495827720 /nfs/dbraw/zinc/82/77/20/495827720.db2.gz CKLJDXXPNUMVKB-YJBOKZPZSA-N 1 0 352.438 3.402 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000177014122 495883692 /nfs/dbraw/zinc/88/36/92/495883692.db2.gz FZTKSFZPYINHEU-GOSISDBHSA-N 1 0 367.449 3.287 10 30 FGEERO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178674764 496536452 /nfs/dbraw/zinc/53/64/52/496536452.db2.gz YZMBFVQGWDZAIH-RHSMWYFYSA-N 1 0 358.442 3.367 10 30 FGEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247523224 496879750 /nfs/dbraw/zinc/87/97/50/496879750.db2.gz WWYWJRDWXKOWKU-RDJZCZTQSA-N 1 0 365.433 3.039 10 30 FGEERO COc1ccc([C@@H](C)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245116 497046992 /nfs/dbraw/zinc/04/69/92/497046992.db2.gz DMLAWTVFUPUIIH-KKSFZXQISA-N 1 0 363.461 3.061 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3n3cccn3)C2=O)cc1 ZINC000248744726 497096313 /nfs/dbraw/zinc/09/63/13/497096313.db2.gz MXCPYPFEXLECFJ-AABGKKOBSA-N 1 0 363.465 3.024 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000245434392 497403618 /nfs/dbraw/zinc/40/36/18/497403618.db2.gz PTPSOAJGXKFHPT-PMACEKPBSA-N 1 0 368.525 3.109 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000190492847 497502649 /nfs/dbraw/zinc/50/26/49/497502649.db2.gz PTIXMZFVDMUSQO-IBGZPJMESA-N 1 0 363.465 3.133 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000190499620 497506162 /nfs/dbraw/zinc/50/61/62/497506162.db2.gz VZTPPFLGNJYDGH-IBGZPJMESA-N 1 0 357.498 3.186 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000245912608 497569010 /nfs/dbraw/zinc/56/90/10/497569010.db2.gz FYOOJMWZXDKGBC-FPOVZHCZSA-N 1 0 350.466 3.086 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000246345581 497704118 /nfs/dbraw/zinc/70/41/18/497704118.db2.gz HJHMWLJYIDSIQN-BXUZGUMPSA-N 1 0 352.385 3.010 10 30 FGEERO C[NH+]=C(NCCc1nccn1Cc1ccccc1)N1CCc2ccccc21 ZINC000263258091 497742840 /nfs/dbraw/zinc/74/28/40/497742840.db2.gz RORJUYXWJCFGKY-UHFFFAOYSA-N 1 0 359.477 3.112 10 30 FGEERO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)[NH+]2CCCC2)cc1 ZINC000302753139 498559449 /nfs/dbraw/zinc/55/94/49/498559449.db2.gz VVECROFUHXBMOK-GOSISDBHSA-N 1 0 367.409 3.119 10 30 FGEERO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)[NH+]2CCCC2)c1 ZINC000302762460 498563406 /nfs/dbraw/zinc/56/34/06/498563406.db2.gz YRDJLGTZFWBRHS-GOSISDBHSA-N 1 0 367.409 3.119 10 30 FGEERO N#Cc1ccc(C[N@H+]2CCCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302843139 498598838 /nfs/dbraw/zinc/59/88/38/498598838.db2.gz DYUILBXJKSKVLH-UHFFFAOYSA-N 1 0 354.385 3.318 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000182508732 705847019 /nfs/dbraw/zinc/84/70/19/705847019.db2.gz PDEXDNNRXPLQIC-BDJLRTHQSA-N 1 0 355.360 3.044 10 30 FGEERO C=C(Br)C[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190515865 712816493 /nfs/dbraw/zinc/81/64/93/712816493.db2.gz ASWNHVFTFUUHHN-AWEZNQCLSA-N 1 0 361.324 3.023 10 30 FGEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N(C)Cc1cc(Cl)cn1C ZINC000262014123 713717100 /nfs/dbraw/zinc/71/71/00/713717100.db2.gz XJGHBHZKVSUDJF-MRXNPFEDSA-N 1 0 369.296 3.073 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000262270760 713723124 /nfs/dbraw/zinc/72/31/24/713723124.db2.gz UMLBECWVNRKPNM-IRXDYDNUSA-N 1 0 359.857 3.062 10 30 FGEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262371219 713724554 /nfs/dbraw/zinc/72/45/54/713724554.db2.gz IRAOSLWBTSRZJI-ZQNQSHIBSA-N 1 0 361.452 3.476 10 30 FGEERO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N+](C)(C)C1CCCC1 ZINC000029413917 717118345 /nfs/dbraw/zinc/11/83/45/717118345.db2.gz JGBGBMCRGJSUDJ-UHFFFAOYSA-O 1 0 360.522 3.191 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NC1CCCC1 ZINC000249713386 717165023 /nfs/dbraw/zinc/16/50/23/717165023.db2.gz ZRZFMQYECTZDEN-QHCPKHFHSA-O 1 0 358.462 3.313 10 30 FGEERO Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CC[NH2+]CC4)o3)o2)cc1 ZINC000040165762 494138816 /nfs/dbraw/zinc/13/88/16/494138816.db2.gz DHLVQQINNJWKIY-UHFFFAOYSA-N 1 0 364.405 3.103 10 30 FGEERO CC[NH+]1CCN(c2cc(CNc3ccc(C#N)c(Cl)c3)ccn2)CC1 ZINC000078613985 494330670 /nfs/dbraw/zinc/33/06/70/494330670.db2.gz QPWBMWGIWOPXRO-UHFFFAOYSA-N 1 0 355.873 3.361 10 30 FGEERO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000056578470 494530267 /nfs/dbraw/zinc/53/02/67/494530267.db2.gz VYHNNFKNHVANIJ-SFHVURJKSA-N 1 0 352.438 3.381 10 30 FGEERO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120195842 495325847 /nfs/dbraw/zinc/32/58/47/495325847.db2.gz RHEJFPHJNQTYSO-LJQANCHMSA-N 1 0 365.481 3.260 10 30 FGEERO C=CCc1cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000120196176 495325968 /nfs/dbraw/zinc/32/59/68/495325968.db2.gz XFPRAVWMSALPSF-GOSISDBHSA-N 1 0 368.481 3.020 10 30 FGEERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C12CCOCC2 ZINC000185666067 495670028 /nfs/dbraw/zinc/67/00/28/495670028.db2.gz PYEGLBMCTPGXAM-WOJBJXKFSA-N 1 0 357.498 3.100 10 30 FGEERO N#Cc1cccc(OCc2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000172217409 496213130 /nfs/dbraw/zinc/21/31/30/496213130.db2.gz GJEOYQYTXNFVTR-FQEVSTJZSA-N 1 0 361.445 3.057 10 30 FGEERO Cc1nc(CN2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cs1 ZINC000157238675 496435500 /nfs/dbraw/zinc/43/55/00/496435500.db2.gz ONDGRKIAWXOYSG-INIZCTEOSA-N 1 0 370.522 3.450 10 30 FGEERO C=CCC[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000182022501 496637838 /nfs/dbraw/zinc/63/78/38/496637838.db2.gz NKRIXLKYTAJQEY-GHTZIAJQSA-N 1 0 373.541 3.428 10 30 FGEERO C=CCC[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1)c1ccccc1 ZINC000182022752 496639776 /nfs/dbraw/zinc/63/97/76/496639776.db2.gz PKIKTDIWOMRZFO-HOJAQTOUSA-N 1 0 359.514 3.181 10 30 FGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000179146222 496690530 /nfs/dbraw/zinc/69/05/30/496690530.db2.gz RJEVYATXLBRMBP-HXUWFJFHSA-N 1 0 354.498 3.353 10 30 FGEERO C[N@H+](CCCO)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301281300 498036245 /nfs/dbraw/zinc/03/62/45/498036245.db2.gz OHIGKCLZHVOPQJ-UHFFFAOYSA-N 1 0 358.873 3.043 10 30 FGEERO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)[NH+]2CCCC2)cc1 ZINC000302753140 498559749 /nfs/dbraw/zinc/55/97/49/498559749.db2.gz VVECROFUHXBMOK-SFHVURJKSA-N 1 0 367.409 3.119 10 30 FGEERO C=C(Br)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000155109970 705063703 /nfs/dbraw/zinc/06/37/03/705063703.db2.gz CNOLPCQMOIGXGG-GOSISDBHSA-N 1 0 367.331 3.272 10 30 FGEERO C=CCn1c(C(=O)NC2CC[NH+](C)CC2)cc2oc(Br)cc21 ZINC000223721161 713570828 /nfs/dbraw/zinc/57/08/28/713570828.db2.gz VHCSFHUHCOAGPN-UHFFFAOYSA-N 1 0 366.259 3.007 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 ZINC000190445244 257368292 /nfs/dbraw/zinc/36/82/92/257368292.db2.gz SNRDSCNSOKOFAE-CYBMUJFWSA-N 1 0 361.902 3.330 10 30 FGEERO CCCCC(C#CC[NH+](CCO)CCO)(c1ccccc1)c1ccccc1 ZINC000006427087 493963273 /nfs/dbraw/zinc/96/32/73/493963273.db2.gz AEVJTCIYLRVSRO-UHFFFAOYSA-N 1 0 365.517 3.453 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1)C(C)C ZINC000111823281 495116255 /nfs/dbraw/zinc/11/62/55/495116255.db2.gz ITLSJENLAOMXEG-VQTJNVASSA-N 1 0 373.545 3.237 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000123375834 495122717 /nfs/dbraw/zinc/12/27/17/495122717.db2.gz MPTTUGMONITSMW-HXUWFJFHSA-N 1 0 351.498 3.380 10 30 FGEERO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCCO2 ZINC000120622266 495419867 /nfs/dbraw/zinc/41/98/67/495419867.db2.gz SHKXZKAFFKHJFL-LBPRGKRZSA-N 1 0 371.824 3.272 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176719623 495762137 /nfs/dbraw/zinc/76/21/37/495762137.db2.gz PGGDLRDJBBAVEJ-IUODEOHRSA-N 1 0 371.462 3.093 10 30 FGEERO C=CCCC[C@H](C)NC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000180694625 496107192 /nfs/dbraw/zinc/10/71/92/496107192.db2.gz LCTXVCOQHCMTEV-DOTOQJQBSA-N 1 0 365.543 3.474 10 30 FGEERO N#Cc1ccc(OCc2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000172217430 496213005 /nfs/dbraw/zinc/21/30/05/496213005.db2.gz YSPVQRVZDSXFRA-HXUWFJFHSA-N 1 0 361.445 3.057 10 30 FGEERO C=C(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000184430125 496380639 /nfs/dbraw/zinc/38/06/39/496380639.db2.gz BXFUTRIJGKHXLF-RXVVDRJESA-N 1 0 358.526 3.493 10 30 FGEERO CCc1csc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249913645 497256238 /nfs/dbraw/zinc/25/62/38/497256238.db2.gz WSZDFVNTQHEHDQ-SJLPKXTDSA-N 1 0 371.506 3.196 10 30 FGEERO C=CCC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000190068734 497345304 /nfs/dbraw/zinc/34/53/04/497345304.db2.gz PXTAYBUVKMYALP-GHTZIAJQSA-N 1 0 358.526 3.288 10 30 FGEERO N#CCCn1cc(C(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000246587017 497782631 /nfs/dbraw/zinc/78/26/31/497782631.db2.gz CLUSPQTUCOITDD-JTSKRJEESA-N 1 0 365.477 3.365 10 30 FGEERO N#Cc1ccc(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000312645586 498760700 /nfs/dbraw/zinc/76/07/00/498760700.db2.gz DUURCZKIWKVILG-BHDDXSALSA-N 1 0 359.473 3.128 10 30 FGEERO N#Cc1ccc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000379692819 499542879 /nfs/dbraw/zinc/54/28/79/499542879.db2.gz HOPCJSRAJBFNLO-FQEVSTJZSA-N 1 0 363.461 3.108 10 30 FGEERO C=CCn1c(-c2ccco2)nn(CN(C)C[C@H]2CCC[N@H+]2CC)c1=S ZINC000177164209 705609436 /nfs/dbraw/zinc/60/94/36/705609436.db2.gz WOEBFEFLKBMPSZ-OAHLLOKOSA-N 1 0 361.515 3.234 10 30 FGEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CCOc2ccccc21 ZINC000262759949 713729095 /nfs/dbraw/zinc/72/90/95/713729095.db2.gz FRIVDVKEGHFCFH-INIZCTEOSA-N 1 0 358.511 3.381 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)NC1CCCC1 ZINC000249713384 717165157 /nfs/dbraw/zinc/16/51/57/717165157.db2.gz ZRZFMQYECTZDEN-HSZRJFAPSA-O 1 0 358.462 3.313 10 30 FGEERO CC(C)[NH+](C(C)C)P(OCCC#N)OCCCNC(=O)C(F)(F)F ZINC000043163757 494273525 /nfs/dbraw/zinc/27/35/25/494273525.db2.gz AOAXRHUQUZSDAX-UHFFFAOYSA-N 1 0 371.340 3.348 10 30 FGEERO C[NH+](C)CCC[C@](O)(c1ccc(Cl)cc1)c1ccc(C#N)cc1CO ZINC000022057928 494513225 /nfs/dbraw/zinc/51/32/25/494513225.db2.gz ARXRIJOUIXNUGC-FQEVSTJZSA-N 1 0 358.869 3.282 10 30 FGEERO Cn1cc(C[NH+]2CCC(Cn3cccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180116078 495864752 /nfs/dbraw/zinc/86/47/52/495864752.db2.gz QITFXBDEFZEGMX-UHFFFAOYSA-N 1 0 360.465 3.067 10 30 FGEERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666782 496095631 /nfs/dbraw/zinc/09/56/31/496095631.db2.gz QKJXWSGTHBEZHH-HOTGVXAUSA-N 1 0 359.433 3.422 10 30 FGEERO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000163148836 496473503 /nfs/dbraw/zinc/47/35/03/496473503.db2.gz KKXAISZEFIJDBW-NSHDSACASA-N 1 0 354.884 3.398 10 30 FGEERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175940965 496610479 /nfs/dbraw/zinc/61/04/79/496610479.db2.gz WMYMZDQVHGBHGK-AWEZNQCLSA-N 1 0 355.404 3.086 10 30 FGEERO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190500157 497506629 /nfs/dbraw/zinc/50/66/29/497506629.db2.gz BLMQJMOMEPIZMY-LJQANCHMSA-N 1 0 363.465 3.248 10 30 FGEERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245785143 497537864 /nfs/dbraw/zinc/53/78/64/497537864.db2.gz VDOUPJXHDGQKST-BEFAXECRSA-N 1 0 353.470 3.098 10 30 FGEERO Cc1cccc(NC[C@@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1 ZINC000246145872 497637716 /nfs/dbraw/zinc/63/77/16/497637716.db2.gz ONBUXPZAPBZJKV-SJORKVTESA-N 1 0 363.465 3.023 10 30 FGEERO N#Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc2ccc(Cl)cc12 ZINC000301389283 498088651 /nfs/dbraw/zinc/08/86/51/498088651.db2.gz FONUZZHJGXHVJN-OAHLLOKOSA-N 1 0 370.884 3.308 10 30 FGEERO N#Cc1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000302697931 498535806 /nfs/dbraw/zinc/53/58/06/498535806.db2.gz FAKHNIWVWIDSAP-UHFFFAOYSA-N 1 0 373.416 3.337 10 30 FGEERO N#Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302739553 498554964 /nfs/dbraw/zinc/55/49/64/498554964.db2.gz QMIIYCWDKWJFSA-INIZCTEOSA-N 1 0 351.410 3.328 10 30 FGEERO N#Cc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000302753099 498560010 /nfs/dbraw/zinc/56/00/10/498560010.db2.gz VTOVOOFICJBEQT-UHFFFAOYSA-N 1 0 351.410 3.459 10 30 FGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182572443 705851292 /nfs/dbraw/zinc/85/12/92/705851292.db2.gz CQBWSIXVNGCTHO-MLGOLLRUSA-N 1 0 352.276 3.154 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000262296675 713723682 /nfs/dbraw/zinc/72/36/82/713723682.db2.gz ZUYSKIMCSBCGNX-IRXDYDNUSA-N 1 0 359.857 3.062 10 30 FGEERO N#Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2n1 ZINC000132953451 494947489 /nfs/dbraw/zinc/94/74/89/494947489.db2.gz PLOGKVFURYAEOG-RTWAWAEBSA-N 1 0 350.466 3.286 10 30 FGEERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1OCCCC#N ZINC000128524071 495110981 /nfs/dbraw/zinc/11/09/81/495110981.db2.gz AXENEEFKKQVKNV-QGZVFWFLSA-N 1 0 354.454 3.101 10 30 FGEERO CC(C)[N@H+]1C[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000176850843 495812275 /nfs/dbraw/zinc/81/22/75/495812275.db2.gz OBFIQZZSXIIUAL-YOEHRIQHSA-N 1 0 367.415 3.085 10 30 FGEERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000180862106 496175699 /nfs/dbraw/zinc/17/56/99/496175699.db2.gz RUQHRSZFSOQWTA-GFCCVEGCSA-N 1 0 357.410 3.075 10 30 FGEERO N#Cc1ccccc1COc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195332256 496892932 /nfs/dbraw/zinc/89/29/32/496892932.db2.gz OCBZZGGQTHYCLZ-FQEVSTJZSA-N 1 0 361.445 3.057 10 30 FGEERO C=CCC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1)c1ccccc1 ZINC000248493662 497025815 /nfs/dbraw/zinc/02/58/15/497025815.db2.gz PKIKTDIWOMRZFO-SXLOBPIMSA-N 1 0 359.514 3.181 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000190497968 497505074 /nfs/dbraw/zinc/50/50/74/497505074.db2.gz TXVYLSXVZNJRCW-QGZVFWFLSA-N 1 0 351.535 3.444 10 30 FGEERO C=CCOc1ccc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1Cl ZINC000263495680 497791401 /nfs/dbraw/zinc/79/14/01/497791401.db2.gz JQEUBKRZSLHCAN-MRXNPFEDSA-N 1 0 366.889 3.276 10 30 FGEERO Cc1ccc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1C#N ZINC000302649990 498523206 /nfs/dbraw/zinc/52/32/06/498523206.db2.gz MWXSRFLBGLBPAB-FQEVSTJZSA-N 1 0 350.466 3.119 10 30 FGEERO C[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000302749278 498558385 /nfs/dbraw/zinc/55/83/85/498558385.db2.gz URGAXIFMGFFNHW-IBGZPJMESA-N 1 0 351.410 3.328 10 30 FGEERO Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)n1 ZINC000302800104 498579837 /nfs/dbraw/zinc/57/98/37/498579837.db2.gz SMONTBOGSYENKT-IBGZPJMESA-N 1 0 350.466 3.273 10 30 FGEERO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328635038 498884129 /nfs/dbraw/zinc/88/41/29/498884129.db2.gz NCKMECOWRWIQGI-STQMWFEESA-N 1 0 350.488 3.121 10 30 FGEERO C=C(Cl)COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151345531 704920261 /nfs/dbraw/zinc/92/02/61/704920261.db2.gz HSOGJYRXIOLOMA-FUHWJXTLSA-N 1 0 352.906 3.315 10 30 FGEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262428145 713725220 /nfs/dbraw/zinc/72/52/20/713725220.db2.gz RZDNLYZDGJOBLC-PCGVCOGMSA-N 1 0 361.452 3.334 10 30 FGEERO CC(C)CC(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000040358502 208248971 /nfs/dbraw/zinc/24/89/71/208248971.db2.gz XIQZALOAIDPQGB-GOSISDBHSA-N 1 0 362.445 3.088 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000046170765 494500522 /nfs/dbraw/zinc/50/05/22/494500522.db2.gz RKLOSLKTCQNLFO-KGLIPLIRSA-N 1 0 351.406 3.007 10 30 FGEERO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000056752837 494556536 /nfs/dbraw/zinc/55/65/36/494556536.db2.gz MBBQYANAZJSBNQ-LJQANCHMSA-N 1 0 370.497 3.107 10 30 FGEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106903872 495509227 /nfs/dbraw/zinc/50/92/27/495509227.db2.gz KPAYZCUDBVDTBT-IBGZPJMESA-N 1 0 366.465 3.106 10 30 FGEERO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000180866216 496176500 /nfs/dbraw/zinc/17/65/00/496176500.db2.gz OMHWDJFTVUEKHV-CQSZACIVSA-N 1 0 353.422 3.255 10 30 FGEERO C=C(C)C[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000184430180 496380476 /nfs/dbraw/zinc/38/04/76/496380476.db2.gz BXFUTRIJGKHXLF-WIYYLYMNSA-N 1 0 358.526 3.493 10 30 FGEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191805032 496896158 /nfs/dbraw/zinc/89/61/58/496896158.db2.gz HLCQXOMOXTYQLG-INIZCTEOSA-N 1 0 359.271 3.490 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189904662 497287437 /nfs/dbraw/zinc/28/74/37/497287437.db2.gz DKWFGUUDLGLUSV-GOSISDBHSA-N 1 0 373.460 3.470 10 30 FGEERO CC(C)c1noc([C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CCOCC2)n1 ZINC000329552079 497827297 /nfs/dbraw/zinc/82/72/97/497827297.db2.gz GBNHNWGRNFCXGN-BPUTZDHNSA-N 1 0 364.490 3.348 10 30 FGEERO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000180725046 705754827 /nfs/dbraw/zinc/75/48/27/705754827.db2.gz HPAIMGVWEMZEJZ-LBPRGKRZSA-N 1 0 366.845 3.475 10 30 FGEERO CC[NH+]=C(N[C@H](C)c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262438063 713725502 /nfs/dbraw/zinc/72/55/02/713725502.db2.gz UFBDZXGMYDLMFK-KVPRVUCYSA-N 1 0 351.441 3.394 10 30 FGEERO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014746608 210146670 /nfs/dbraw/zinc/14/66/70/210146670.db2.gz JHIARDLIIAJGFB-SFHVURJKSA-N 1 0 370.541 3.429 10 30 FGEERO C=C1c2ccc3c(c2C[C@@]12c1cc(OC)c(O)cc1CCN2C)OCO3 ZINC000030726944 291066199 /nfs/dbraw/zinc/06/61/99/291066199.db2.gz MDAWGFZRYVVBAS-NRFANRHFSA-N 1 0 351.402 3.082 10 30 biogenic,in-vitro FGEERO Cc1nn(CC(=O)c2ccc(Cl)c(Cl)c2)c(N=CN(C)C)[s+]1 ZINC000004276875 210519648 /nfs/dbraw/zinc/51/96/48/210519648.db2.gz VLDWQKCVIBCWBW-UHFFFAOYSA-N 1 0 358.274 3.150 10 30 FGEERO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ncc(C)c(N(C)C)n1 ZINC000072430105 494172405 /nfs/dbraw/zinc/17/24/05/494172405.db2.gz DFSUACIMHCNJSP-SFHVURJKSA-N 1 0 355.486 3.092 10 30 FGEERO C#CC[NH+]1CCC(C(=O)N2C[C@H](c3ccccc3Cl)OCC2(C)C)CC1 ZINC000110512475 494985352 /nfs/dbraw/zinc/98/53/52/494985352.db2.gz XGQCRRCALNQHJS-LJQANCHMSA-N 1 0 374.912 3.364 10 30 FGEERO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000103473994 495239138 /nfs/dbraw/zinc/23/91/38/495239138.db2.gz QEVPPBXAXYOCGN-QGZVFWFLSA-N 1 0 363.465 3.024 10 30 FGEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105148286 495340834 /nfs/dbraw/zinc/34/08/34/495340834.db2.gz PYINHDAQKMAIFK-SFHVURJKSA-N 1 0 372.513 3.087 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@]3(O)CCCC[C@H]3C1)CCC2 ZINC000140350966 495493672 /nfs/dbraw/zinc/49/36/72/495493672.db2.gz IHFYCNPNGSHWOC-VBKZILBWSA-N 1 0 373.522 3.064 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154576401 495659050 /nfs/dbraw/zinc/65/90/50/495659050.db2.gz DACFZRSRVCZLII-FUHWJXTLSA-N 1 0 372.538 3.321 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000154783805 495727563 /nfs/dbraw/zinc/72/75/63/495727563.db2.gz HTKXTXIOFQGXBE-MOPGFXCFSA-N 1 0 363.546 3.406 10 30 FGEERO C#CCSCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186281244 495926250 /nfs/dbraw/zinc/92/62/50/495926250.db2.gz NFODVSFRUMHDMV-INIZCTEOSA-N 1 0 362.296 3.285 10 30 FGEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181136711 496283889 /nfs/dbraw/zinc/28/38/89/496283889.db2.gz VNUVPYCYQIDHQX-MRXNPFEDSA-N 1 0 359.271 3.490 10 30 FGEERO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000181753403 496529664 /nfs/dbraw/zinc/52/96/64/496529664.db2.gz JFWWXTYFRSDKGE-OLZOCXBDSA-N 1 0 369.421 3.217 10 30 FGEERO C=CCC[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000182022522 496639416 /nfs/dbraw/zinc/63/94/16/496639416.db2.gz NKRIXLKYTAJQEY-WIYYLYMNSA-N 1 0 373.541 3.428 10 30 FGEERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191415260 496755126 /nfs/dbraw/zinc/75/51/26/496755126.db2.gz FWNQYZCOAJGILD-OAQYLSRUSA-N 1 0 361.489 3.439 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C(C)C ZINC000247296860 496827318 /nfs/dbraw/zinc/82/73/18/496827318.db2.gz ULJWQRYMRLZMLX-QKNQBKEWSA-N 1 0 363.546 3.022 10 30 FGEERO COc1ccc(C#N)cc1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260038 496864672 /nfs/dbraw/zinc/86/46/72/496864672.db2.gz FSDWKLRFFZPYDI-KRWDZBQOSA-N 1 0 370.522 3.286 10 30 FGEERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245111 497047630 /nfs/dbraw/zinc/04/76/30/497047630.db2.gz DMLAWTVFUPUIIH-IIBYNOLFSA-N 1 0 363.461 3.061 10 30 FGEERO C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccc([N+](=O)[O-])c1 ZINC000225408120 497061459 /nfs/dbraw/zinc/06/14/59/497061459.db2.gz ZPGRDXWGATYPAQ-NWRYFCBHSA-N 1 0 352.461 3.040 10 30 FGEERO CCCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccc([N+](=O)[O-])c1 ZINC000225407717 497061645 /nfs/dbraw/zinc/06/16/45/497061645.db2.gz JQURGQMFLUBMJA-OMJMQIJPSA-N 1 0 354.477 3.264 10 30 FGEERO N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000245518603 497437983 /nfs/dbraw/zinc/43/79/83/497437983.db2.gz HVAIFXJTQGNQIB-GDBMZVCRSA-N 1 0 351.372 3.328 10 30 FGEERO Cc1cccc(NC[C@H]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1 ZINC000246145859 497637365 /nfs/dbraw/zinc/63/73/65/497637365.db2.gz ONBUXPZAPBZJKV-IAGOWNOFSA-N 1 0 363.465 3.023 10 30 FGEERO C[C@@H]1C[NH+](CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@@H](C)O1 ZINC000301596766 498180412 /nfs/dbraw/zinc/18/04/12/498180412.db2.gz ZNZLGJGSBGPMMG-CHWSQXEVSA-N 1 0 368.934 3.384 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085965620 700369161 /nfs/dbraw/zinc/36/91/61/700369161.db2.gz SMLABBLNKYDMCF-CJNGLKHVSA-N 1 0 352.272 3.102 10 30 FGEERO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000262465734 713725813 /nfs/dbraw/zinc/72/58/13/713725813.db2.gz YGCPJRPALDXGPV-SECBINFHSA-N 1 0 369.252 3.112 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)Nc1cc(C)on1 ZINC000249703233 717164616 /nfs/dbraw/zinc/16/46/16/717164616.db2.gz JVQKNGFXHLAPPS-QHCPKHFHSA-O 1 0 371.417 3.189 10 30 FGEERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000043721983 494314818 /nfs/dbraw/zinc/31/48/18/494314818.db2.gz JEKVIRMLLYENFC-INIZCTEOSA-N 1 0 354.454 3.294 10 30 FGEERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N ZINC000046170883 494500390 /nfs/dbraw/zinc/50/03/90/494500390.db2.gz SXTWLZAYZGBOAV-KBPBESRZSA-N 1 0 351.406 3.007 10 30 FGEERO C=CCc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc(OC)c1O ZINC000092812585 494758149 /nfs/dbraw/zinc/75/81/49/494758149.db2.gz KFVHZQZKIROZAW-INIZCTEOSA-N 1 0 353.466 3.458 10 30 FGEERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000103473420 495238109 /nfs/dbraw/zinc/23/81/09/495238109.db2.gz AKTQPUGLQHPNIC-UHFFFAOYSA-N 1 0 371.872 3.153 10 30 FGEERO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000103473965 495239625 /nfs/dbraw/zinc/23/96/25/495239625.db2.gz LBUPOUATIVUSHR-GOSISDBHSA-N 1 0 363.465 3.024 10 30 FGEERO C=CCOc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1OC ZINC000120307066 495347678 /nfs/dbraw/zinc/34/76/78/495347678.db2.gz ZCJLJTXEBSEAOS-UHFFFAOYSA-N 1 0 354.454 3.127 10 30 FGEERO N#CC1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCCC1 ZINC000115158195 495469759 /nfs/dbraw/zinc/46/97/59/495469759.db2.gz XPUNARYLCJCQHN-FQEVSTJZSA-N 1 0 369.509 3.022 10 30 FGEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC000173956736 495764308 /nfs/dbraw/zinc/76/43/08/495764308.db2.gz NAMBIEPTDKPNCU-QGZVFWFLSA-N 1 0 359.539 3.318 10 30 FGEERO N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174686457 496061578 /nfs/dbraw/zinc/06/15/78/496061578.db2.gz LRWNNBDBBQABJE-CYBMUJFWSA-N 1 0 362.836 3.158 10 30 FGEERO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180659566 496090953 /nfs/dbraw/zinc/09/09/53/496090953.db2.gz UTSIMMNRYCBSOR-KRWDZBQOSA-N 1 0 365.481 3.208 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177695051 496162924 /nfs/dbraw/zinc/16/29/24/496162924.db2.gz BIWPTYNEJUAPKS-QGZVFWFLSA-N 1 0 352.482 3.154 10 30 FGEERO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000180871324 496179348 /nfs/dbraw/zinc/17/93/48/496179348.db2.gz PGJCLADUTZFTLO-INIZCTEOSA-N 1 0 367.449 3.301 10 30 FGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000172217007 496212743 /nfs/dbraw/zinc/21/27/43/496212743.db2.gz PQMXJDOYKREGGJ-HXUWFJFHSA-N 1 0 363.461 3.351 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000175034007 496218724 /nfs/dbraw/zinc/21/87/24/496218724.db2.gz BAMOUMXDTWWALN-DLBZAZTESA-N 1 0 360.889 3.099 10 30 FGEERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780526 496886857 /nfs/dbraw/zinc/88/68/57/496886857.db2.gz RVXOBLWXWVYASE-CQSZACIVSA-N 1 0 374.286 3.312 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504610 496943050 /nfs/dbraw/zinc/94/30/50/496943050.db2.gz WJKIGAPLOHJYKB-MRXNPFEDSA-N 1 0 372.538 3.264 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245412904 497393440 /nfs/dbraw/zinc/39/34/40/497393440.db2.gz BAMOUMXDTWWALN-SJORKVTESA-N 1 0 360.889 3.099 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000190352556 497447732 /nfs/dbraw/zinc/44/77/32/497447732.db2.gz SOCSLJSTDBESTE-UHFFFAOYSA-N 1 0 357.498 3.186 10 30 FGEERO C#Cc1cccc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190493249 497502386 /nfs/dbraw/zinc/50/23/86/497502386.db2.gz IQMYEUMPRUJMCH-QGZVFWFLSA-N 1 0 368.506 3.419 10 30 FGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000245689543 497503200 /nfs/dbraw/zinc/50/32/00/497503200.db2.gz BELWSXXNQYTRPG-CRAIPNDOSA-N 1 0 350.890 3.057 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000190564395 497530257 /nfs/dbraw/zinc/53/02/57/497530257.db2.gz UEDKHMIOSNRWIB-KRWDZBQOSA-N 1 0 368.506 3.226 10 30 FGEERO Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000301278559 498034875 /nfs/dbraw/zinc/03/48/75/498034875.db2.gz JQKJTLJLHWXLKH-IBGZPJMESA-N 1 0 373.464 3.116 10 30 FGEERO N#Cc1cc(Cl)ccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000301642723 498202284 /nfs/dbraw/zinc/20/22/84/498202284.db2.gz MTBWABRZUGIFJP-VQTJNVASSA-N 1 0 353.853 3.301 10 30 FGEERO C=C(Br)C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190515841 712816316 /nfs/dbraw/zinc/81/63/16/712816316.db2.gz ASWNHVFTFUUHHN-CQSZACIVSA-N 1 0 361.324 3.023 10 30 FGEERO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C)c2)N2CCOCC2)s1 ZINC000262427095 713725199 /nfs/dbraw/zinc/72/51/99/713725199.db2.gz CWIFGXFXVXHTAF-KRWDZBQOSA-N 1 0 358.511 3.165 10 30 FGEERO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCCCCCC1)C2 ZINC000014741700 210146700 /nfs/dbraw/zinc/14/67/00/210146700.db2.gz UFLBBWRFIXSWDY-GOSISDBHSA-N 1 0 370.541 3.429 10 30 FGEERO C=CCC[C@@H](CN1CCOCC1)Oc1ccc(C[NH+]2CCCCC2)cn1 ZINC000072434914 210066521 /nfs/dbraw/zinc/06/65/21/210066521.db2.gz ARNTZCWGDBDKFC-FQEVSTJZSA-N 1 0 359.514 3.113 10 30 FGEERO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1nccc(N(C)CC)n1 ZINC000072425228 210065899 /nfs/dbraw/zinc/06/58/99/210065899.db2.gz WYCMFIAVJDHYOR-SFHVURJKSA-N 1 0 355.486 3.173 10 30 FGEERO N#Cc1ccccc1-c1ccc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)o1 ZINC000071681168 221353690 /nfs/dbraw/zinc/35/36/90/221353690.db2.gz JOSNBVMQMRHZRQ-CYBMUJFWSA-N 1 0 355.401 3.150 10 30 FGEERO C=CCc1cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000120196356 495326023 /nfs/dbraw/zinc/32/60/23/495326023.db2.gz XFPRAVWMSALPSF-SFHVURJKSA-N 1 0 368.481 3.020 10 30 FGEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CC ZINC000177132510 495940158 /nfs/dbraw/zinc/94/01/58/495940158.db2.gz ANLHQNPVONYKRA-IBGZPJMESA-N 1 0 368.443 3.490 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672373 496098638 /nfs/dbraw/zinc/09/86/38/496098638.db2.gz ANLPWDCNRZXAJK-JKSUJKDBSA-N 1 0 359.433 3.422 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195262265 496866093 /nfs/dbraw/zinc/86/60/93/496866093.db2.gz MGJFQOFUAVRHAU-INIZCTEOSA-N 1 0 358.486 3.416 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3n3cccn3)C2=O)cc1 ZINC000248744731 497096697 /nfs/dbraw/zinc/09/66/97/497096697.db2.gz MXCPYPFEXLECFJ-HSALFYBXSA-N 1 0 363.465 3.024 10 30 FGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249094894 497165694 /nfs/dbraw/zinc/16/56/94/497165694.db2.gz ONYUBUIABXYDRU-IRXDYDNUSA-N 1 0 359.514 3.457 10 30 FGEERO C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1OCC ZINC000261946462 497481005 /nfs/dbraw/zinc/48/10/05/497481005.db2.gz FJZOGMLTWXXQSP-IUODEOHRSA-N 1 0 369.303 3.192 10 30 FGEERO C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1OCC ZINC000261946460 497481545 /nfs/dbraw/zinc/48/15/45/497481545.db2.gz FJZOGMLTWXXQSP-DOMZBBRYSA-N 1 0 369.303 3.192 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000190561212 497528609 /nfs/dbraw/zinc/52/86/09/497528609.db2.gz WHAAEGIAWOJZTB-KRWDZBQOSA-N 1 0 368.506 3.112 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000190564378 497530295 /nfs/dbraw/zinc/53/02/95/497530295.db2.gz UEDKHMIOSNRWIB-QGZVFWFLSA-N 1 0 368.506 3.226 10 30 FGEERO N#Cc1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302739554 498554323 /nfs/dbraw/zinc/55/43/23/498554323.db2.gz QMIIYCWDKWJFSA-MRXNPFEDSA-N 1 0 351.410 3.328 10 30 FGEERO N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379699405 499542666 /nfs/dbraw/zinc/54/26/66/499542666.db2.gz PRGBQCUBZVQRON-FQEVSTJZSA-N 1 0 363.461 3.108 10 30 FGEERO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000086711011 700372333 /nfs/dbraw/zinc/37/23/33/700372333.db2.gz IMZYAROFJPRKCM-QWHCGFSZSA-N 1 0 367.481 3.185 10 30 FGEERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174850369 705523132 /nfs/dbraw/zinc/52/31/32/705523132.db2.gz MWLOJEXMXFFZHL-UHFFFAOYSA-N 1 0 351.926 3.083 10 30 FGEERO C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261961300 713716423 /nfs/dbraw/zinc/71/64/23/713716423.db2.gz KGQJKOQMNGXTQO-GFCCVEGCSA-N 1 0 350.875 3.025 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NCC1CCC1 ZINC000246246169 717164177 /nfs/dbraw/zinc/16/41/77/717164177.db2.gz KHHLOLLAZNCNID-QHCPKHFHSA-O 1 0 358.462 3.170 10 30 FGEERO C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014754189 210146505 /nfs/dbraw/zinc/14/65/05/210146505.db2.gz NKJBTXVZJOVUDS-SFHVURJKSA-N 1 0 370.541 3.306 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074130091 494485735 /nfs/dbraw/zinc/48/57/35/494485735.db2.gz WLKJEWQQHSMFDY-LEWJYISDSA-N 1 0 371.525 3.325 10 30 FGEERO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000103473963 495238974 /nfs/dbraw/zinc/23/89/74/495238974.db2.gz UYQKWBZILSWREB-GOSISDBHSA-N 1 0 363.465 3.024 10 30 FGEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106903875 495508851 /nfs/dbraw/zinc/50/88/51/495508851.db2.gz KPAYZCUDBVDTBT-LJQANCHMSA-N 1 0 366.465 3.106 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000173493521 495557146 /nfs/dbraw/zinc/55/71/46/495557146.db2.gz ZHRGEGZPQKPQDW-INIZCTEOSA-N 1 0 362.543 3.381 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000155584027 496003094 /nfs/dbraw/zinc/00/30/94/496003094.db2.gz OIHYFSVRBMWEFU-QAPCUYQASA-N 1 0 367.449 3.189 10 30 FGEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000152564373 496189898 /nfs/dbraw/zinc/18/98/98/496189898.db2.gz RWAWWFQHILSXQD-GOSISDBHSA-N 1 0 369.465 3.436 10 30 FGEERO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000181753368 496528945 /nfs/dbraw/zinc/52/89/45/496528945.db2.gz JFWWXTYFRSDKGE-STQMWFEESA-N 1 0 369.421 3.217 10 30 FGEERO CCc1csc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195379251 496905918 /nfs/dbraw/zinc/90/59/18/496905918.db2.gz WSZDFVNTQHEHDQ-AEFFLSMTSA-N 1 0 371.506 3.196 10 30 FGEERO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977733 496951108 /nfs/dbraw/zinc/95/11/08/496951108.db2.gz IFDJRONMZDTTLO-INIZCTEOSA-N 1 0 357.498 3.357 10 30 FGEERO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190500179 497505773 /nfs/dbraw/zinc/50/57/73/497505773.db2.gz BLMQJMOMEPIZMY-IBGZPJMESA-N 1 0 363.465 3.248 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000190505314 497509020 /nfs/dbraw/zinc/50/90/20/497509020.db2.gz JRLYHFRSUJELHA-INIZCTEOSA-N 1 0 367.428 3.078 10 30 FGEERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245785145 497537195 /nfs/dbraw/zinc/53/71/95/497537195.db2.gz VDOUPJXHDGQKST-DNVCBOLYSA-N 1 0 353.470 3.098 10 30 FGEERO Cn1cc([C@H](CNc2cc(C#N)c3cc(Cl)ccc3n2)[NH+](C)C)cn1 ZINC000301265571 498028686 /nfs/dbraw/zinc/02/86/86/498028686.db2.gz HOPBXSLRUOSPBE-KRWDZBQOSA-N 1 0 354.845 3.208 10 30 FGEERO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 ZINC000328636909 498883052 /nfs/dbraw/zinc/88/30/52/498883052.db2.gz OIFYLCIHVATCTE-HNNXBMFYSA-N 1 0 369.494 3.188 10 30 FGEERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000379021607 499541617 /nfs/dbraw/zinc/54/16/17/499541617.db2.gz BHQOQQRTAKHIOB-XVKPBYJWSA-N 1 0 358.257 3.339 10 30 FGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000182090630 705825577 /nfs/dbraw/zinc/82/55/77/705825577.db2.gz BXRPJGSKZSADNA-INIZCTEOSA-N 1 0 353.491 3.287 10 30 FGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182573597 705851190 /nfs/dbraw/zinc/85/11/90/705851190.db2.gz QCBZHDKMFPRTEZ-QWHCGFSZSA-N 1 0 352.276 3.108 10 30 FGEERO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261704658 713712837 /nfs/dbraw/zinc/71/28/37/713712837.db2.gz ISXXJXHMHVBMPF-IUODEOHRSA-N 1 0 369.278 3.478 10 30 FGEERO CCO[C@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C12CCOCC2 ZINC000262378074 713724486 /nfs/dbraw/zinc/72/44/86/713724486.db2.gz JWHRFAULDBZVSE-CVEARBPZSA-N 1 0 367.877 3.049 10 30 FGEERO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000072866961 494272185 /nfs/dbraw/zinc/27/21/85/494272185.db2.gz SETKWIHKDFENBI-PZJWPPBQSA-N 1 0 363.461 3.475 10 30 FGEERO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000092814139 494761099 /nfs/dbraw/zinc/76/10/99/494761099.db2.gz WUJILSHOIKUXFA-SFHVURJKSA-N 1 0 353.470 3.183 10 30 FGEERO C=CCc1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc(OC)c1O ZINC000093272519 494854721 /nfs/dbraw/zinc/85/47/21/494854721.db2.gz UPPCJTJBCPELSH-UHFFFAOYSA-N 1 0 368.481 3.020 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000123376074 495122758 /nfs/dbraw/zinc/12/27/58/495122758.db2.gz MPTTUGMONITSMW-FQEVSTJZSA-N 1 0 351.498 3.380 10 30 FGEERO C#CCCCCC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180339929 495957962 /nfs/dbraw/zinc/95/79/62/495957962.db2.gz XKPVNEKFJKDMGM-OAQYLSRUSA-N 1 0 356.510 3.084 10 30 FGEERO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000192006878 496961547 /nfs/dbraw/zinc/96/15/47/496961547.db2.gz DHMYXTIRVYSWJS-GOSISDBHSA-N 1 0 359.470 3.264 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000190830408 497615965 /nfs/dbraw/zinc/61/59/65/497615965.db2.gz UGDQKIGDYKXOJJ-UHFFFAOYSA-N 1 0 363.527 3.248 10 30 FGEERO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccc(Cl)cc12 ZINC000301389282 498088093 /nfs/dbraw/zinc/08/80/93/498088093.db2.gz FONUZZHJGXHVJN-HNNXBMFYSA-N 1 0 370.884 3.308 10 30 FGEERO Cc1cccc2c(N3CCN(Cc4ccc(C#N)cc4)C(=O)C3)cc[nH+]c12 ZINC000301696078 498228785 /nfs/dbraw/zinc/22/87/85/498228785.db2.gz YWCNJQJFSJQQJA-UHFFFAOYSA-N 1 0 356.429 3.264 10 30 FGEERO CC[NH+]=C(NCCc1ccc(Cl)s1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262436281 713725536 /nfs/dbraw/zinc/72/55/36/713725536.db2.gz GIIIDHKQTBSSEN-CYBMUJFWSA-N 1 0 365.934 3.133 10 30 FGEERO C[NH+]=C(NCc1c(C)nn(C)c1C)NCC1CCC(C(F)(F)F)CC1 ZINC000262768779 713729304 /nfs/dbraw/zinc/72/93/04/713729304.db2.gz HBEVSZSKOMZCLX-UHFFFAOYSA-N 1 0 359.440 3.071 10 30 FGEERO C=CCOc1cccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121203994 494643693 /nfs/dbraw/zinc/64/36/93/494643693.db2.gz BVBHETWBXFKVLX-UHFFFAOYSA-N 1 0 354.498 3.044 10 30 FGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000103473993 495239321 /nfs/dbraw/zinc/23/93/21/495239321.db2.gz QEVPPBXAXYOCGN-KRWDZBQOSA-N 1 0 363.465 3.024 10 30 FGEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000113231381 495287125 /nfs/dbraw/zinc/28/71/25/495287125.db2.gz WWYWJRDWXKOWKU-NVXWUHKLSA-N 1 0 365.433 3.039 10 30 FGEERO C[N@H+](CCOc1ccccc1C#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160168 495420828 /nfs/dbraw/zinc/42/08/28/495420828.db2.gz HTSKBMZWZHGSIL-GOSISDBHSA-N 1 0 371.506 3.004 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000177014137 495884120 /nfs/dbraw/zinc/88/41/20/495884120.db2.gz FZTKSFZPYINHEU-SFHVURJKSA-N 1 0 367.449 3.287 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184998 495896724 /nfs/dbraw/zinc/89/67/24/495896724.db2.gz FYOOJMWZXDKGBC-CTNGQTDRSA-N 1 0 350.466 3.086 10 30 FGEERO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180662599 496092457 /nfs/dbraw/zinc/09/24/57/496092457.db2.gz QLTBTISNJRFALG-INIZCTEOSA-N 1 0 362.433 3.482 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177697336 496163490 /nfs/dbraw/zinc/16/34/90/496163490.db2.gz JONYZYYJTBWVEB-DLBZAZTESA-N 1 0 374.554 3.435 10 30 FGEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000157996106 496604119 /nfs/dbraw/zinc/60/41/19/496604119.db2.gz JSJWKYQRJAAKQK-QGZVFWFLSA-N 1 0 354.454 3.133 10 30 FGEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000246966942 496738292 /nfs/dbraw/zinc/73/82/92/496738292.db2.gz DOAUESOLNOYBBP-YJBOKZPZSA-N 1 0 365.433 3.039 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000247004719 496748989 /nfs/dbraw/zinc/74/89/89/496748989.db2.gz QMUOZXKTARLSJS-OALUTQOASA-N 1 0 355.482 3.193 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000248389416 496990116 /nfs/dbraw/zinc/99/01/16/496990116.db2.gz AVSHOAUETHBGRN-OALUTQOASA-N 1 0 357.498 3.436 10 30 FGEERO C=CCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccc([N+](=O)[O-])c1 ZINC000225408155 497061635 /nfs/dbraw/zinc/06/16/35/497061635.db2.gz ZPGRDXWGATYPAQ-OMJMQIJPSA-N 1 0 352.461 3.040 10 30 FGEERO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000192924454 497247720 /nfs/dbraw/zinc/24/77/20/497247720.db2.gz OFPDIWVGPBPOMW-JKSUJKDBSA-N 1 0 373.415 3.438 10 30 FGEERO NC(=S)NN=C1CCCc2c3cc(C[NH+]4CCCCC4)ccc3[nH]c21 ZINC000254395704 497347516 /nfs/dbraw/zinc/34/75/16/497347516.db2.gz RYJAKQTYJXFFPG-UHFFFAOYSA-N 1 0 355.511 3.027 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000190831476 497617155 /nfs/dbraw/zinc/61/71/55/497617155.db2.gz WPUVESIFOOGTPU-UHFFFAOYSA-N 1 0 351.535 3.444 10 30 FGEERO N#Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302728717 498549313 /nfs/dbraw/zinc/54/93/13/498549313.db2.gz PEBCGCDKPWDNCE-ALOPSCKCSA-N 1 0 363.421 3.469 10 30 FGEERO N#Cc1ccc(CC(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000312645591 498761337 /nfs/dbraw/zinc/76/13/37/498761337.db2.gz DUURCZKIWKVILG-FDFHNCONSA-N 1 0 359.473 3.128 10 30 FGEERO N#CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000381854102 499545065 /nfs/dbraw/zinc/54/50/65/499545065.db2.gz LOPAHFNYUWAAPI-HSALFYBXSA-N 1 0 351.494 3.487 10 30 FGEERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000180724110 705754863 /nfs/dbraw/zinc/75/48/63/705754863.db2.gz XFVHWAXDIVTBMU-LBPRGKRZSA-N 1 0 366.845 3.475 10 30 FGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182511747 705847310 /nfs/dbraw/zinc/84/73/10/705847310.db2.gz QKCFTPLILLSLOG-CHWSQXEVSA-N 1 0 357.376 3.244 10 30 FGEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C12CCOCC2 ZINC000262378083 713724475 /nfs/dbraw/zinc/72/44/75/713724475.db2.gz JWHRFAULDBZVSE-HZPDHXFCSA-N 1 0 367.877 3.049 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCC(C(F)(F)F)CC1 ZINC000262385776 713724534 /nfs/dbraw/zinc/72/45/34/713724534.db2.gz LGNZREALRKLOEG-PCGVCOGMSA-N 1 0 361.452 3.476 10 30 FGEERO C[NH+]=C(N[C@H](C)c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262413116 713725302 /nfs/dbraw/zinc/72/53/02/713725302.db2.gz PQHVGKVRIXISCS-KVPRVUCYSA-N 1 0 351.441 3.394 10 30 FGEERO C[NH+](CCC/N=C/c1ccccc1O)CCC/N=C/c1ccccc1O ZINC000060272552 493920386 /nfs/dbraw/zinc/92/03/86/493920386.db2.gz ZWZQCMKZDVYHJR-LKNRODPVSA-N 1 0 353.466 3.348 10 30 FGEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(C(=O)NC)ccn1 ZINC000072424151 494170575 /nfs/dbraw/zinc/17/05/75/494170575.db2.gz HVSDPCMHGWFZNY-OTWHNJEPSA-N 1 0 355.482 3.053 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000079306687 494434124 /nfs/dbraw/zinc/43/41/24/494434124.db2.gz HIFGZPIJWRTGPB-CABCVRRESA-N 1 0 359.470 3.086 10 30 FGEERO N#Cc1ccc(C(F)(F)F)nc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978353 494800733 /nfs/dbraw/zinc/80/07/33/494800733.db2.gz XQMXEJBSVKJGDV-UHFFFAOYSA-N 1 0 364.375 3.398 10 30 FGEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1Cl ZINC000114201735 495353537 /nfs/dbraw/zinc/35/35/37/495353537.db2.gz AFKRQNBREXDBRJ-QGZVFWFLSA-N 1 0 357.845 3.491 10 30 FGEERO C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162522 495421986 /nfs/dbraw/zinc/42/19/86/495421986.db2.gz XWBYJPDKDIBLDY-IBGZPJMESA-N 1 0 371.506 3.004 10 30 FGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000182359655 495532763 /nfs/dbraw/zinc/53/27/63/495532763.db2.gz QDZMPZXVWIYPLS-OALUTQOASA-N 1 0 359.518 3.345 10 30 FGEERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000180871338 496179709 /nfs/dbraw/zinc/17/97/09/496179709.db2.gz PGJCLADUTZFTLO-MRXNPFEDSA-N 1 0 367.449 3.301 10 30 FGEERO C=CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)cc(OC)c1OC ZINC000175003833 496203451 /nfs/dbraw/zinc/20/34/51/496203451.db2.gz AQTGQSROLIWQHN-ZWKOTPCHSA-N 1 0 358.482 3.131 10 30 FGEERO C=C[C@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000188617502 496852289 /nfs/dbraw/zinc/85/22/89/496852289.db2.gz YRYRLIDPGZYHFT-RBBKRZOGSA-N 1 0 358.526 3.493 10 30 FGEERO C(#CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1)C[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000241862488 497353877 /nfs/dbraw/zinc/35/38/77/497353877.db2.gz SQJFXMOBPXEXDV-DNQXCXABSA-N 1 0 374.532 3.363 10 30 FGEERO Cc1cc(N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c2cc(F)ccc2[nH+]1 ZINC000301639107 498200819 /nfs/dbraw/zinc/20/08/19/498200819.db2.gz AXUBTCTYMNNXEZ-UHFFFAOYSA-N 1 0 374.419 3.403 10 30 FGEERO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)n1 ZINC000302800105 498579574 /nfs/dbraw/zinc/57/95/74/498579574.db2.gz SMONTBOGSYENKT-LJQANCHMSA-N 1 0 350.466 3.273 10 30 FGEERO N#Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000312645593 498760333 /nfs/dbraw/zinc/76/03/33/498760333.db2.gz DUURCZKIWKVILG-YPAWHYETSA-N 1 0 359.473 3.128 10 30 FGEERO COc1ccc(-c2c[n+](CC(=O)OCc3ccccc3)c3n2CCC3)cc1 ZINC000027299938 523082084 /nfs/dbraw/zinc/08/20/84/523082084.db2.gz BKYRUCLNPLERJF-UHFFFAOYSA-N 1 0 363.437 3.141 10 30 FGEERO COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C)c3)c3n2CCC3)cc1 ZINC000027299616 523082516 /nfs/dbraw/zinc/08/25/16/523082516.db2.gz VUHFCKCUCVYKMN-UHFFFAOYSA-O 1 0 362.453 3.345 10 30 FGEERO C=CCOc1ccc(-c2nn(CN3CC[C@@H]([NH+](C)C)C3)c(=S)o2)cc1 ZINC000158618386 705192928 /nfs/dbraw/zinc/19/29/28/705192928.db2.gz MVVGPLNJBUPEHG-OAHLLOKOSA-N 1 0 360.483 3.031 10 30 FGEERO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000262465735 713725974 /nfs/dbraw/zinc/72/59/74/713725974.db2.gz YGCPJRPALDXGPV-VIFPVBQESA-N 1 0 369.252 3.112 10 30 FGEERO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)NC1CCCCC1 ZINC000006926514 493987613 /nfs/dbraw/zinc/98/76/13/493987613.db2.gz OBLQJRVLOWWXNP-UHFFFAOYSA-O 1 0 358.893 3.491 10 30 FGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000055323091 494327420 /nfs/dbraw/zinc/32/74/20/494327420.db2.gz IDRJUDTUBXZOIA-HXUWFJFHSA-N 1 0 363.461 3.351 10 30 FGEERO N#Cc1cnc2ccccc2c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132961998 494948706 /nfs/dbraw/zinc/94/87/06/494948706.db2.gz WNUDRXOIBBKTGU-PMACEKPBSA-N 1 0 350.466 3.286 10 30 FGEERO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)ccc1OC ZINC000128468309 495101768 /nfs/dbraw/zinc/10/17/68/495101768.db2.gz TZQRVZXQLZVRRT-SFHVURJKSA-N 1 0 356.470 3.154 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183381 495426478 /nfs/dbraw/zinc/42/64/78/495426478.db2.gz IATRDJMWYUTSNJ-KRWDZBQOSA-N 1 0 372.538 3.260 10 30 FGEERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000106216929 495434050 /nfs/dbraw/zinc/43/40/50/495434050.db2.gz FSNQGVOCNOQGMF-OAHLLOKOSA-N 1 0 357.483 3.044 10 30 FGEERO COc1ccc([C@H](CNc2cc(C)nc(C)c2C#N)[NH+](C)C)cc1OC ZINC000160438731 495964077 /nfs/dbraw/zinc/96/40/77/495964077.db2.gz ONNWXUMUVLKKJY-SFHVURJKSA-N 1 0 354.454 3.302 10 30 FGEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178753489 496560627 /nfs/dbraw/zinc/56/06/27/496560627.db2.gz AFKKAZQSJJCWEX-QGZVFWFLSA-N 1 0 371.872 3.210 10 30 FGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247214166 496806625 /nfs/dbraw/zinc/80/66/25/496806625.db2.gz CMPSMROYUXIZTD-LKUPVBHCSA-N 1 0 363.461 3.473 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000247352040 496843218 /nfs/dbraw/zinc/84/32/18/496843218.db2.gz OBFIQZZSXIIUAL-RHSMWYFYSA-N 1 0 367.415 3.085 10 30 FGEERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000195255916 496863350 /nfs/dbraw/zinc/86/33/50/496863350.db2.gz JEOKKHZZWWJIFD-KRWDZBQOSA-N 1 0 370.522 3.156 10 30 FGEERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000195255929 496863711 /nfs/dbraw/zinc/86/37/11/496863711.db2.gz JEOKKHZZWWJIFD-QGZVFWFLSA-N 1 0 370.522 3.156 10 30 FGEERO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](CCC)CC1CC1)C2 ZINC000014744854 519286824 /nfs/dbraw/zinc/28/68/24/519286824.db2.gz KAQOWYVPYNAIMT-GOSISDBHSA-N 1 0 370.541 3.284 10 30 FGEERO CO/N=C(\CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000036216688 522738099 /nfs/dbraw/zinc/73/80/99/522738099.db2.gz POFLPPAPIQKZSF-RELWKKBWSA-N 1 0 358.873 3.298 10 30 FGEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000131198189 700811820 /nfs/dbraw/zinc/81/18/20/700811820.db2.gz AGVCXEYPEMMSQO-GFCCVEGCSA-N 1 0 354.285 3.425 10 30 FGEERO C=C(Br)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000155109858 705063921 /nfs/dbraw/zinc/06/39/21/705063921.db2.gz CNOLPCQMOIGXGG-SFHVURJKSA-N 1 0 367.331 3.272 10 30 FGEERO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000180725065 705754658 /nfs/dbraw/zinc/75/46/58/705754658.db2.gz HPAIMGVWEMZEJZ-GFCCVEGCSA-N 1 0 366.845 3.475 10 30 FGEERO CC[NH+]=C(N[C@H](C)c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262438065 713725630 /nfs/dbraw/zinc/72/56/30/713725630.db2.gz UFBDZXGMYDLMFK-VGOVLVCLSA-N 1 0 351.441 3.394 10 30 FGEERO C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014754191 220132644 /nfs/dbraw/zinc/13/26/44/220132644.db2.gz NKJBTXVZJOVUDS-GOSISDBHSA-N 1 0 370.541 3.306 10 30 FGEERO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000056578471 494530194 /nfs/dbraw/zinc/53/01/94/494530194.db2.gz VYHNNFKNHVANIJ-GOSISDBHSA-N 1 0 352.438 3.381 10 30 FGEERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106222343 495436083 /nfs/dbraw/zinc/43/60/83/495436083.db2.gz FVJAWHQJTLPUTR-QGZVFWFLSA-N 1 0 371.872 3.382 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176343142 495609820 /nfs/dbraw/zinc/60/98/20/495609820.db2.gz OLMWBURXUAMCIT-ZDUSSCGKSA-N 1 0 352.385 3.108 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000172185333 496200104 /nfs/dbraw/zinc/20/01/04/496200104.db2.gz OAVUGCBUTSOZJC-KDOFPFPSSA-N 1 0 365.433 3.032 10 30 FGEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(Br)c1 ZINC000181100359 496270211 /nfs/dbraw/zinc/27/02/11/496270211.db2.gz SCTOGATZGGODBA-UHFFFAOYSA-N 1 0 359.271 3.429 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000178775443 496566942 /nfs/dbraw/zinc/56/69/42/496566942.db2.gz FKJVIUPQZHQTOM-MRXNPFEDSA-N 1 0 355.404 3.110 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000190622442 497549821 /nfs/dbraw/zinc/54/98/21/497549821.db2.gz HLRLYDWDPTZTBA-IBGZPJMESA-N 1 0 374.488 3.231 10 30 FGEERO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 ZINC000328636910 498884036 /nfs/dbraw/zinc/88/40/36/498884036.db2.gz OIFYLCIHVATCTE-OAHLLOKOSA-N 1 0 369.494 3.188 10 30 FGEERO CCCCCCCCOC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627883 507434477 /nfs/dbraw/zinc/43/44/77/507434477.db2.gz OHARMKBLCNAIRA-SFHVURJKSA-N 1 0 353.503 3.402 10 30 FGEERO C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000223443375 713570498 /nfs/dbraw/zinc/57/04/98/713570498.db2.gz FPYUTHGWPKLXRL-IBGZPJMESA-N 1 0 350.528 3.408 10 30 FGEERO C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261961302 713716416 /nfs/dbraw/zinc/71/64/16/713716416.db2.gz KGQJKOQMNGXTQO-LBPRGKRZSA-N 1 0 350.875 3.025 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262417836 713725244 /nfs/dbraw/zinc/72/52/44/713725244.db2.gz QJUOUKKHMPCHJA-ZQNQSHIBSA-N 1 0 361.452 3.476 10 30 FGEERO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(C)c2)N2CCOCC2)s1 ZINC000262427097 713725307 /nfs/dbraw/zinc/72/53/07/713725307.db2.gz CWIFGXFXVXHTAF-QGZVFWFLSA-N 1 0 358.511 3.165 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1CCC[C@H](SC)C1 ZINC000262799569 713729437 /nfs/dbraw/zinc/72/94/37/713729437.db2.gz QPMFQGNYPPJJIT-PMPSAXMXSA-N 1 0 355.935 3.213 10 30 FGEERO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCCCCCC1)C2 ZINC000014741699 220130912 /nfs/dbraw/zinc/13/09/12/220130912.db2.gz UFLBBWRFIXSWDY-SFHVURJKSA-N 1 0 370.541 3.429 10 30 FGEERO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1OCCCC#N ZINC000131947046 494782752 /nfs/dbraw/zinc/78/27/52/494782752.db2.gz WWMQOVLIZORYPM-SFHVURJKSA-N 1 0 354.454 3.448 10 30 FGEERO C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1 ZINC000110512472 494985432 /nfs/dbraw/zinc/98/54/32/494985432.db2.gz XGQCRRCALNQHJS-IBGZPJMESA-N 1 0 374.912 3.364 10 30 FGEERO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120089652 495305290 /nfs/dbraw/zinc/30/52/90/495305290.db2.gz NAHLXYSNBVHSSJ-SFHVURJKSA-N 1 0 359.470 3.264 10 30 FGEERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114688335 495408954 /nfs/dbraw/zinc/40/89/54/495408954.db2.gz OKZOCYALXFVVNW-FQEVSTJZSA-N 1 0 363.461 3.351 10 30 FGEERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000106216931 495434963 /nfs/dbraw/zinc/43/49/63/495434963.db2.gz FSNQGVOCNOQGMF-HNNXBMFYSA-N 1 0 357.483 3.044 10 30 FGEERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106222346 495435864 /nfs/dbraw/zinc/43/58/64/495435864.db2.gz FVJAWHQJTLPUTR-KRWDZBQOSA-N 1 0 371.872 3.382 10 30 FGEERO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000120877081 495476564 /nfs/dbraw/zinc/47/65/64/495476564.db2.gz IQFSNQXSKJDOJG-GOSISDBHSA-N 1 0 371.506 3.134 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)cc1OC ZINC000185667669 495671058 /nfs/dbraw/zinc/67/10/58/495671058.db2.gz HUXAOZCOQKCCIS-UXHICEINSA-N 1 0 361.482 3.324 10 30 FGEERO Cc1cccc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1 ZINC000171652422 495971597 /nfs/dbraw/zinc/97/15/97/495971597.db2.gz ONBUXPZAPBZJKV-DLBZAZTESA-N 1 0 363.465 3.023 10 30 FGEERO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655047 496088335 /nfs/dbraw/zinc/08/83/35/496088335.db2.gz YSLKLURXIGIEPE-INIZCTEOSA-N 1 0 359.433 3.423 10 30 FGEERO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000172112596 496169994 /nfs/dbraw/zinc/16/99/94/496169994.db2.gz GILLEXDLYQYJAT-MRXNPFEDSA-N 1 0 357.475 3.343 10 30 FGEERO C=CCOc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190577303 497534322 /nfs/dbraw/zinc/53/43/22/497534322.db2.gz AKGMDOJGWPTBOT-LJQANCHMSA-N 1 0 365.477 3.241 10 30 FGEERO C=C(Cl)COc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151345399 704920006 /nfs/dbraw/zinc/92/00/06/704920006.db2.gz HSOGJYRXIOLOMA-WMZOPIPTSA-N 1 0 352.906 3.315 10 30 FGEERO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C12CCOCC2 ZINC000262378087 713724531 /nfs/dbraw/zinc/72/45/31/713724531.db2.gz JWHRFAULDBZVSE-JKSUJKDBSA-N 1 0 367.877 3.049 10 30 FGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c1 ZINC000262438572 713725483 /nfs/dbraw/zinc/72/54/83/713725483.db2.gz GYHSSLGTHACWSI-NVXWUHKLSA-N 1 0 358.511 3.245 10 30 FGEERO Cc1c(Cl)cnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)c1C#N ZINC000886039188 739210938 /nfs/dbraw/zinc/21/09/38/739210938.db2.gz PEJLKWOKGNVCOI-SUMWQHHRSA-N 1 0 358.877 3.144 10 30 FGEERO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+](CC)CC)C2 ZINC000014743482 220130937 /nfs/dbraw/zinc/13/09/37/220130937.db2.gz DALSQYVSRCHDKI-KRWDZBQOSA-N 1 0 358.530 3.284 10 30 FGEERO C=CCC[C@@H](O)C[N@@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840525 494081910 /nfs/dbraw/zinc/08/19/10/494081910.db2.gz APMWCPNVPQPZQN-OAQYLSRUSA-N 1 0 360.473 3.451 10 30 FGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(C)C ZINC000182359615 495532538 /nfs/dbraw/zinc/53/25/38/495532538.db2.gz QDZMPZXVWIYPLS-MOPGFXCFSA-N 1 0 359.518 3.345 10 30 FGEERO C=C(C)CN(CC)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173494982 495557171 /nfs/dbraw/zinc/55/71/71/495557171.db2.gz KTAONVCJNVXEML-FQEVSTJZSA-N 1 0 359.514 3.040 10 30 FGEERO Cc1ccc([C@@H]2CCCCN2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176262328 495568141 /nfs/dbraw/zinc/56/81/41/495568141.db2.gz JNJMNGQGVXTSOB-SFHVURJKSA-N 1 0 358.463 3.461 10 30 FGEERO Cn1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180042762 495834452 /nfs/dbraw/zinc/83/44/52/495834452.db2.gz CRHPDENBHBYOKO-SFHVURJKSA-N 1 0 372.476 3.288 10 30 FGEERO N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174686446 496062099 /nfs/dbraw/zinc/06/20/99/496062099.db2.gz LRWNNBDBBQABJE-ZDUSSCGKSA-N 1 0 362.836 3.158 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000172185324 496200032 /nfs/dbraw/zinc/20/00/32/496200032.db2.gz OAVUGCBUTSOZJC-RDTXWAMCSA-N 1 0 365.433 3.032 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3n3cccn3)C2=O)cc1 ZINC000248744741 497096340 /nfs/dbraw/zinc/09/63/40/497096340.db2.gz MXCPYPFEXLECFJ-UFYCRDLUSA-N 1 0 363.465 3.024 10 30 FGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249094898 497165116 /nfs/dbraw/zinc/16/51/16/497165116.db2.gz ONYUBUIABXYDRU-SJORKVTESA-N 1 0 359.514 3.457 10 30 FGEERO C=CCOc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190614908 497546791 /nfs/dbraw/zinc/54/67/91/497546791.db2.gz PFWANXBQWCKHPV-IBGZPJMESA-N 1 0 365.477 3.241 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000190852905 497622873 /nfs/dbraw/zinc/62/28/73/497622873.db2.gz OXAKPLIMLLIWRA-OAHLLOKOSA-N 1 0 363.527 3.248 10 30 FGEERO C=CCc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)cc(OC)c1OC ZINC000246830870 497814550 /nfs/dbraw/zinc/81/45/50/497814550.db2.gz AQTGQSROLIWQHN-MSOLQXFVSA-N 1 0 358.482 3.131 10 30 FGEERO CC(C)c1noc([C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CCOCC2)n1 ZINC000329552080 497827694 /nfs/dbraw/zinc/82/76/94/497827694.db2.gz GBNHNWGRNFCXGN-CWRNSKLLSA-N 1 0 364.490 3.348 10 30 FGEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301713526 498235309 /nfs/dbraw/zinc/23/53/09/498235309.db2.gz IYNAEMBISSCHIF-HOTGVXAUSA-N 1 0 353.388 3.003 10 30 FGEERO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@@H]2CC[C@@H](C[NH3+])O2)n1 ZINC000328608452 498872652 /nfs/dbraw/zinc/87/26/52/498872652.db2.gz ZBLWQRJMXSDVKE-STQMWFEESA-N 1 0 364.833 3.142 10 30 FGEERO CCN1CCO[C@@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)[C@@H]1c1ccccc1 ZINC000329062692 499030315 /nfs/dbraw/zinc/03/03/15/499030315.db2.gz NYNCNUGGLQQOOZ-QRFRQXIXSA-N 1 0 359.470 3.162 10 30 FGEERO C=C(Cl)COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151345466 704920052 /nfs/dbraw/zinc/92/00/52/704920052.db2.gz HSOGJYRXIOLOMA-AEFFLSMTSA-N 1 0 352.906 3.315 10 30 FGEERO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000186214391 712712480 /nfs/dbraw/zinc/71/24/80/712712480.db2.gz RAOLOCVXSQSPPD-LJQANCHMSA-N 1 0 355.507 3.434 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074130086 494485939 /nfs/dbraw/zinc/48/59/39/494485939.db2.gz WLKJEWQQHSMFDY-SFTDATJTSA-N 1 0 371.525 3.325 10 30 FGEERO COc1ccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)cc1C#N ZINC000135053625 495245314 /nfs/dbraw/zinc/24/53/14/495245314.db2.gz OLFINKWEVJGOOT-SFHVURJKSA-N 1 0 371.506 3.134 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183383 495426421 /nfs/dbraw/zinc/42/64/21/495426421.db2.gz IATRDJMWYUTSNJ-QGZVFWFLSA-N 1 0 372.538 3.260 10 30 FGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000106211724 495432445 /nfs/dbraw/zinc/43/24/45/495432445.db2.gz STNOWAMCSOOIPK-SFHVURJKSA-N 1 0 351.454 3.074 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176719607 495762398 /nfs/dbraw/zinc/76/23/98/495762398.db2.gz PGGDLRDJBBAVEJ-SWLSCSKDSA-N 1 0 371.462 3.093 10 30 FGEERO C#Cc1cccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000177114007 495931052 /nfs/dbraw/zinc/93/10/52/495931052.db2.gz CYEZJKMAGQBKKC-SFHVURJKSA-N 1 0 369.490 3.267 10 30 FGEERO C#Cc1cccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000177114027 495931143 /nfs/dbraw/zinc/93/11/43/495931143.db2.gz CYEZJKMAGQBKKC-GOSISDBHSA-N 1 0 369.490 3.267 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177695065 496162836 /nfs/dbraw/zinc/16/28/36/496162836.db2.gz BIWPTYNEJUAPKS-KRWDZBQOSA-N 1 0 352.482 3.154 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000175333047 496344435 /nfs/dbraw/zinc/34/44/35/496344435.db2.gz FQMBKDPRMWULKA-SFHVURJKSA-N 1 0 362.905 3.003 10 30 FGEERO COc1cc(C#N)ccc1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195254736 496863660 /nfs/dbraw/zinc/86/36/60/496863660.db2.gz QFOZOQTUYIQHPJ-KRWDZBQOSA-N 1 0 370.522 3.286 10 30 FGEERO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980129 496951961 /nfs/dbraw/zinc/95/19/61/496951961.db2.gz WDOGQSFHQKUJRU-MRXNPFEDSA-N 1 0 357.498 3.357 10 30 FGEERO C=CCC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000190068718 497345305 /nfs/dbraw/zinc/34/53/05/497345305.db2.gz PXTAYBUVKMYALP-NQIIRXRSSA-N 1 0 358.526 3.288 10 30 FGEERO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000245689548 497503137 /nfs/dbraw/zinc/50/31/37/497503137.db2.gz BELWSXXNQYTRPG-MAUKXSAKSA-N 1 0 350.890 3.057 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000190502015 497506574 /nfs/dbraw/zinc/50/65/74/497506574.db2.gz HHFMVOGEXLLVSY-MRXNPFEDSA-N 1 0 367.428 3.078 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000190505340 497508993 /nfs/dbraw/zinc/50/89/93/497508993.db2.gz JRLYHFRSUJELHA-MRXNPFEDSA-N 1 0 367.428 3.078 10 30 FGEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000246345593 497704212 /nfs/dbraw/zinc/70/42/12/497704212.db2.gz HJHMWLJYIDSIQN-SMDDNHRTSA-N 1 0 352.385 3.010 10 30 FGEERO N#Cc1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000301739889 498245297 /nfs/dbraw/zinc/24/52/97/498245297.db2.gz XBTZKGVAWVBVPA-HZPDHXFCSA-N 1 0 353.388 3.003 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)N1CCCCC1 ZINC000249703276 717164599 /nfs/dbraw/zinc/16/45/99/717164599.db2.gz KADGJLSQFAWKTL-HSZRJFAPSA-N 1 0 358.462 3.267 10 30 FGEERO C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCC[NH3+])CC[C@@]43C)[C@@H]1CCC2=O ZINC000004392967 493876367 /nfs/dbraw/zinc/87/63/67/493876367.db2.gz MPYLDWFDPHRTEG-PAAYLBSLSA-N 1 0 360.498 3.109 10 30 investigational FGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1OC ZINC000092814052 494760862 /nfs/dbraw/zinc/76/08/62/494760862.db2.gz CDWGSCBCBIALST-MRXNPFEDSA-N 1 0 357.454 3.406 10 30 FGEERO C=CCc1cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc(OC)c1O ZINC000121943195 494895815 /nfs/dbraw/zinc/89/58/15/494895815.db2.gz HENSDNNNOLJQKW-KRWDZBQOSA-N 1 0 370.497 3.250 10 30 FGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)C(C)C ZINC000111823274 495116262 /nfs/dbraw/zinc/11/62/62/495116262.db2.gz ITLSJENLAOMXEG-UXHICEINSA-N 1 0 373.545 3.237 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)CCC2 ZINC000114203050 495353448 /nfs/dbraw/zinc/35/34/48/495353448.db2.gz VGKZSKCJWQLWCW-MRXNPFEDSA-N 1 0 369.494 3.387 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000136899872 495408245 /nfs/dbraw/zinc/40/82/45/495408245.db2.gz ULJWQRYMRLZMLX-SFHLNBCPSA-N 1 0 363.546 3.022 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000176187365 495537931 /nfs/dbraw/zinc/53/79/31/495537931.db2.gz IWMRKABZKUTHCC-KRWDZBQOSA-N 1 0 367.415 3.183 10 30 FGEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC ZINC000177132494 495940069 /nfs/dbraw/zinc/94/00/69/495940069.db2.gz ANLHQNPVONYKRA-LJQANCHMSA-N 1 0 368.443 3.490 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177702899 496164752 /nfs/dbraw/zinc/16/47/52/496164752.db2.gz HWBMHMPSXPLJNK-IRXDYDNUSA-N 1 0 374.554 3.293 10 30 FGEERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000172473385 496311001 /nfs/dbraw/zinc/31/10/01/496311001.db2.gz GTHVHLCMFOIURM-QGZVFWFLSA-N 1 0 359.470 3.326 10 30 FGEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178753477 496560698 /nfs/dbraw/zinc/56/06/98/496560698.db2.gz AFKKAZQSJJCWEX-KRWDZBQOSA-N 1 0 371.872 3.210 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176165299 496710643 /nfs/dbraw/zinc/71/06/43/496710643.db2.gz GCWQRVJSBBHGFX-QGZVFWFLSA-N 1 0 367.415 3.183 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000195266114 496868803 /nfs/dbraw/zinc/86/88/03/496868803.db2.gz FVVWKHJSYHUPGQ-OAHLLOKOSA-N 1 0 358.486 3.416 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000190512182 497511280 /nfs/dbraw/zinc/51/12/80/497511280.db2.gz YXCCYQDSGIWETM-FQEVSTJZSA-N 1 0 374.500 3.305 10 30 FGEERO N#Cc1ccc(Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)nn1 ZINC000301918332 498328388 /nfs/dbraw/zinc/32/83/88/498328388.db2.gz JSNCTAIKFRZPJR-UHFFFAOYSA-N 1 0 370.460 3.414 10 30 FGEERO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302709708 498540475 /nfs/dbraw/zinc/54/04/75/498540475.db2.gz HSZJDXXKJIGOFL-HOCLYGCPSA-N 1 0 351.410 3.326 10 30 FGEERO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116258987 700592177 /nfs/dbraw/zinc/59/21/77/700592177.db2.gz UJEOESNNFXCXSS-HNNXBMFYSA-N 1 0 353.495 3.495 10 30 FGEERO C=C(C)CN1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130108346 700796406 /nfs/dbraw/zinc/79/64/06/700796406.db2.gz LSWMKYNSXSRJRX-QGZVFWFLSA-N 1 0 351.535 3.264 10 30 FGEERO CC(=O)C(C(C)=O)[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 ZINC000006820540 493981715 /nfs/dbraw/zinc/98/17/15/493981715.db2.gz VUMDPGIVEUSNQL-UHFFFAOYSA-N 1 0 352.241 3.415 10 30 FGEERO COc1ccc(C=NNC(N)=[NH2+])cc1COc1cc(C)c(Cl)c(C)c1 ZINC000008301148 494081813 /nfs/dbraw/zinc/08/18/13/494081813.db2.gz UYKBTSXGZNZSSZ-LSFURLLWSA-N 1 0 360.845 3.152 10 30 FGEERO N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CC[NH2+]CC1 ZINC000040165751 494138505 /nfs/dbraw/zinc/13/85/05/494138505.db2.gz FCEZKCKSSRCPBA-UHFFFAOYSA-N 1 0 360.417 3.202 10 30 FGEERO N#Cc1ccc(NCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000109312708 494858303 /nfs/dbraw/zinc/85/83/03/494858303.db2.gz JEBPLWWPUXUFAJ-OAQYLSRUSA-N 1 0 362.477 3.141 10 30 FGEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180662615 496092732 /nfs/dbraw/zinc/09/27/32/496092732.db2.gz QLTBTISNJRFALG-MRXNPFEDSA-N 1 0 362.433 3.482 10 30 FGEERO C[NH+]=C(N[C@H](C)c1ccc(OC)c(F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162239212 496320833 /nfs/dbraw/zinc/32/08/33/496320833.db2.gz DVAUHVYGUSFHKS-OLUCIUBSSA-N 1 0 361.461 3.018 10 30 FGEERO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182193852 496702794 /nfs/dbraw/zinc/70/27/94/496702794.db2.gz IQXDVAUPGGTOSQ-OAHLLOKOSA-N 1 0 358.463 3.081 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176165322 496710652 /nfs/dbraw/zinc/71/06/52/496710652.db2.gz GCWQRVJSBBHGFX-KRWDZBQOSA-N 1 0 367.415 3.183 10 30 FGEERO CCc1csc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195379257 496905933 /nfs/dbraw/zinc/90/59/33/496905933.db2.gz WSZDFVNTQHEHDQ-WMZOPIPTSA-N 1 0 371.506 3.196 10 30 FGEERO C=CCOc1ccc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1Cl ZINC000263495679 497791283 /nfs/dbraw/zinc/79/12/83/497791283.db2.gz JQEUBKRZSLHCAN-INIZCTEOSA-N 1 0 366.889 3.276 10 30 FGEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000014749225 519286803 /nfs/dbraw/zinc/28/68/03/519286803.db2.gz YAWACPYLJHLSBY-MRXNPFEDSA-N 1 0 372.900 3.071 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261732537 713713428 /nfs/dbraw/zinc/71/34/28/713713428.db2.gz YGTRKDVPARCBIT-ZQNQSHIBSA-N 1 0 359.436 3.230 10 30 FGEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H](C)c1ccc2ccccc2c1 ZINC000262381777 713724521 /nfs/dbraw/zinc/72/45/21/713724521.db2.gz KNWLFHUCWQBEOF-FOIQADDNSA-N 1 0 357.523 3.324 10 30 FGEERO C/[NH+]=C(\NCc1cn2ccsc2n1)NCC1CCC(C(F)(F)F)CC1 ZINC000262509259 713726602 /nfs/dbraw/zinc/72/66/02/713726602.db2.gz LWFWSFXAYRJUTE-UHFFFAOYSA-N 1 0 373.448 3.430 10 30 FGEERO C[NH+]=C(NC[C@H](c1cccs1)N1CCO[C@H](C)C1)NC1CCCCC1 ZINC000262690399 713728568 /nfs/dbraw/zinc/72/85/68/713728568.db2.gz CBWRVOUGQWVKER-NVXWUHKLSA-N 1 0 364.559 3.008 10 30 FGEERO CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000006951676 493989499 /nfs/dbraw/zinc/98/94/99/493989499.db2.gz CYQIAVSGUBJDBU-UHFFFAOYSA-O 1 0 362.453 3.426 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000121412441 494744067 /nfs/dbraw/zinc/74/40/67/494744067.db2.gz QEEIUAUKYCWJTA-MRXNPFEDSA-N 1 0 365.433 3.055 10 30 FGEERO C=CCC(CC=C)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151056600 495724689 /nfs/dbraw/zinc/72/46/89/495724689.db2.gz SVIBBTCCQFHGKL-NRFANRHFSA-N 1 0 356.510 3.317 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177697350 496163307 /nfs/dbraw/zinc/16/33/07/496163307.db2.gz JONYZYYJTBWVEB-IRXDYDNUSA-N 1 0 374.554 3.435 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000247004710 496749508 /nfs/dbraw/zinc/74/95/08/496749508.db2.gz QMUOZXKTARLSJS-MOPGFXCFSA-N 1 0 355.482 3.193 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504609 496943096 /nfs/dbraw/zinc/94/30/96/496943096.db2.gz WJKIGAPLOHJYKB-INIZCTEOSA-N 1 0 372.538 3.264 10 30 FGEERO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507795 496944183 /nfs/dbraw/zinc/94/41/83/496944183.db2.gz UTCQKJVHIBXYJP-QGZVFWFLSA-N 1 0 365.481 3.233 10 30 FGEERO C=CCOc1c(Br)cc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OCC ZINC000261946463 497481087 /nfs/dbraw/zinc/48/10/87/497481087.db2.gz FJZOGMLTWXXQSP-SWLSCSKDSA-N 1 0 369.303 3.192 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000190462286 497488757 /nfs/dbraw/zinc/48/87/57/497488757.db2.gz RMYOJAAKSBDUQJ-INIZCTEOSA-N 1 0 358.486 3.416 10 30 FGEERO CC(C)CC[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301361824 498074539 /nfs/dbraw/zinc/07/45/39/498074539.db2.gz MCIKXOPWZANJBU-UHFFFAOYSA-N 1 0 353.426 3.183 10 30 FGEERO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302709711 498540513 /nfs/dbraw/zinc/54/05/13/498540513.db2.gz HSZJDXXKJIGOFL-ZBFHGGJFSA-N 1 0 351.410 3.326 10 30 FGEERO C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000302749279 498558124 /nfs/dbraw/zinc/55/81/24/498558124.db2.gz URGAXIFMGFFNHW-LJQANCHMSA-N 1 0 351.410 3.328 10 30 FGEERO C[NH+]=C(N[C@H](C)c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262413121 713725179 /nfs/dbraw/zinc/72/51/79/713725179.db2.gz PQHVGKVRIXISCS-VGOVLVCLSA-N 1 0 351.441 3.394 10 30 FGEERO C[NH+]=C(NC[C@H](c1cccs1)N1CCO[C@@H](C)C1)NC1CCCCC1 ZINC000262690394 713728630 /nfs/dbraw/zinc/72/86/30/713728630.db2.gz CBWRVOUGQWVKER-DOTOQJQBSA-N 1 0 364.559 3.008 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1 ZINC000190445223 257368572 /nfs/dbraw/zinc/36/85/72/257368572.db2.gz SNRDSCNSOKOFAE-ZDUSSCGKSA-N 1 0 361.902 3.330 10 30 FGEERO CC[NH+](CC)CC#CCOC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000029406793 493838102 /nfs/dbraw/zinc/83/81/02/493838102.db2.gz DRBYLMLUURMIDQ-CQSZACIVSA-N 1 0 352.272 3.441 10 30 FGEERO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ncc(C)c(N(C)C)n1 ZINC000072430107 494172505 /nfs/dbraw/zinc/17/25/05/494172505.db2.gz DFSUACIMHCNJSP-GOSISDBHSA-N 1 0 355.486 3.092 10 30 FGEERO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)o1 ZINC000043721980 494315093 /nfs/dbraw/zinc/31/50/93/494315093.db2.gz JEKVIRMLLYENFC-MRXNPFEDSA-N 1 0 354.454 3.294 10 30 FGEERO CCc1nnc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1CC ZINC000124115444 495236013 /nfs/dbraw/zinc/23/60/13/495236013.db2.gz ZDTBSHPUOQVWFV-HNNXBMFYSA-N 1 0 350.470 3.115 10 30 FGEERO Cc1ccc([C@H]2CCCCN2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176262340 495568596 /nfs/dbraw/zinc/56/85/96/495568596.db2.gz JNJMNGQGVXTSOB-GOSISDBHSA-N 1 0 358.463 3.461 10 30 FGEERO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)cc(OC)c1O ZINC000185652021 495663576 /nfs/dbraw/zinc/66/35/76/495663576.db2.gz SMSYEDOZLLEEMB-MOPGFXCFSA-N 1 0 361.482 3.193 10 30 FGEERO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000176483619 495667655 /nfs/dbraw/zinc/66/76/55/495667655.db2.gz LLPJGIOQKFUAMC-LBPRGKRZSA-N 1 0 371.462 3.297 10 30 FGEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1C#N ZINC000171605739 495946187 /nfs/dbraw/zinc/94/61/87/495946187.db2.gz YMMABPYOSNNFMT-HXUWFJFHSA-N 1 0 367.518 3.081 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(CC)cs3)C2)CC1 ZINC000172265095 496236221 /nfs/dbraw/zinc/23/62/21/496236221.db2.gz LVVJPMZOKHNOBW-HNNXBMFYSA-N 1 0 362.543 3.245 10 30 FGEERO C=C(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000184430164 496380798 /nfs/dbraw/zinc/38/07/98/496380798.db2.gz BXFUTRIJGKHXLF-GHTZIAJQSA-N 1 0 358.526 3.493 10 30 FGEERO CCc1csc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249913641 497256836 /nfs/dbraw/zinc/25/68/36/497256836.db2.gz WSZDFVNTQHEHDQ-FUHWJXTLSA-N 1 0 371.506 3.196 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000190561234 497528866 /nfs/dbraw/zinc/52/88/66/497528866.db2.gz WHAAEGIAWOJZTB-QGZVFWFLSA-N 1 0 368.506 3.112 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085965616 700369131 /nfs/dbraw/zinc/36/91/31/700369131.db2.gz SMLABBLNKYDMCF-BBRMVZONSA-N 1 0 352.272 3.102 10 30 FGEERO C=C(C)CN1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130108136 700796369 /nfs/dbraw/zinc/79/63/69/700796369.db2.gz LSWMKYNSXSRJRX-KRWDZBQOSA-N 1 0 351.535 3.264 10 30 FGEERO CC[NH+]=C(N[C@H](C)c1ccc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262413230 713725289 /nfs/dbraw/zinc/72/52/89/713725289.db2.gz PSCSUXQNNPAXRI-HWHUXHBOSA-N 1 0 351.441 3.394 10 30 FGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)c1 ZINC000262438575 713725497 /nfs/dbraw/zinc/72/54/97/713725497.db2.gz GYHSSLGTHACWSI-RDJZCZTQSA-N 1 0 358.511 3.245 10 30 FGEERO O=C(C[N+]12CCN(CC1)CC2)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000064610137 717132351 /nfs/dbraw/zinc/13/23/51/717132351.db2.gz SYESWHQVRCRHNW-UHFFFAOYSA-O 1 0 372.876 3.217 10 30 FGEERO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067384738 494528553 /nfs/dbraw/zinc/52/85/53/494528553.db2.gz XZEIWPGNWOKMTM-QGZVFWFLSA-N 1 0 351.410 3.328 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(C)C ZINC000182359593 495533084 /nfs/dbraw/zinc/53/30/84/495533084.db2.gz QDZMPZXVWIYPLS-RTBURBONSA-N 1 0 359.518 3.345 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000154783696 495728039 /nfs/dbraw/zinc/72/80/39/495728039.db2.gz HTKXTXIOFQGXBE-RTBURBONSA-N 1 0 363.546 3.406 10 30 FGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000160470563 495970017 /nfs/dbraw/zinc/97/00/17/495970017.db2.gz WUOWUZIPMDUFJR-LJQANCHMSA-N 1 0 357.498 3.344 10 30 FGEERO CC(C)[N@H+]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@@H](C)C1 ZINC000155782870 496066778 /nfs/dbraw/zinc/06/67/78/496066778.db2.gz HBKZKRKFBIAFAJ-KXBFYZLASA-N 1 0 367.449 3.189 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180659586 496091493 /nfs/dbraw/zinc/09/14/93/496091493.db2.gz UTSIMMNRYCBSOR-QGZVFWFLSA-N 1 0 365.481 3.208 10 30 FGEERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000180663680 496094311 /nfs/dbraw/zinc/09/43/11/496094311.db2.gz OLWCUSUWXNJNOV-IAGOWNOFSA-N 1 0 365.481 3.254 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000180887397 496187457 /nfs/dbraw/zinc/18/74/57/496187457.db2.gz CEUHIUXLNFIZIP-STQMWFEESA-N 1 0 371.437 3.463 10 30 FGEERO C=CCC[C@H](NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000182022480 496638615 /nfs/dbraw/zinc/63/86/15/496638615.db2.gz NKRIXLKYTAJQEY-NQIIRXRSSA-N 1 0 373.541 3.428 10 30 FGEERO C=CCC1(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC000188498480 496811163 /nfs/dbraw/zinc/81/11/63/496811163.db2.gz CMIKXRSIBBYBSL-HXUWFJFHSA-N 1 0 356.510 3.295 10 30 FGEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000247515604 496877644 /nfs/dbraw/zinc/87/76/44/496877644.db2.gz YSWFEWVLIUAOPO-WMLDXEAASA-N 1 0 367.415 3.085 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000245434393 497403763 /nfs/dbraw/zinc/40/37/63/497403763.db2.gz PTPSOAJGXKFHPT-UXHICEINSA-N 1 0 368.525 3.109 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245466851 497420772 /nfs/dbraw/zinc/42/07/72/497420772.db2.gz JONYZYYJTBWVEB-IAGOWNOFSA-N 1 0 374.554 3.435 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000190499854 497505605 /nfs/dbraw/zinc/50/56/05/497505605.db2.gz BFIITZXNGFZAOH-LJQANCHMSA-N 1 0 357.498 3.186 10 30 FGEERO C[NH+]=C(NCc1cn2cc(Br)ccc2n1)NC1CCCCC1 ZINC000263257321 497743427 /nfs/dbraw/zinc/74/34/27/497743427.db2.gz RCSDTCZVBAXIIN-UHFFFAOYSA-N 1 0 364.291 3.095 10 30 FGEERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000328990628 499008867 /nfs/dbraw/zinc/00/88/67/499008867.db2.gz FKTCSYFRPABSEL-SSAUXNHXSA-N 1 0 373.541 3.245 10 30 FGEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000074650179 700197241 /nfs/dbraw/zinc/19/72/41/700197241.db2.gz RIWRFCRHJUTFGK-LLVKDONJSA-N 1 0 359.301 3.086 10 30 FGEERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000121702147 700678352 /nfs/dbraw/zinc/67/83/52/700678352.db2.gz DOUXQMXCMMTFQB-UHFFFAOYSA-N 1 0 351.926 3.083 10 30 FGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182511729 705847248 /nfs/dbraw/zinc/84/72/48/705847248.db2.gz QKCFTPLILLSLOG-QWHCGFSZSA-N 1 0 357.376 3.244 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1CCOc2ccccc21 ZINC000262296678 713723743 /nfs/dbraw/zinc/72/37/43/713723743.db2.gz ZUYSKIMCSBCGNX-SJORKVTESA-N 1 0 359.857 3.062 10 30 FGEERO CC[NH+]=C(N[C@H](C)c1ccc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262413232 713725232 /nfs/dbraw/zinc/72/52/32/713725232.db2.gz PSCSUXQNNPAXRI-IPALMDDQSA-N 1 0 351.441 3.394 10 30 FGEERO CC(=O)Nc1ccc(CC[N@H+]2C[C@H]3c4cc(C#N)ccc4OC[C@@H]3C2)cc1 ZINC000004424810 204139043 /nfs/dbraw/zinc/13/90/43/204139043.db2.gz ZDZWIQDJFWTDAM-GHTZIAJQSA-N 1 0 361.445 3.167 10 30 FGEERO N#CCCCOc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120292288 495345296 /nfs/dbraw/zinc/34/52/96/495345296.db2.gz ALJDFLUOXBCQRH-UHFFFAOYSA-N 1 0 351.454 3.236 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000171699070 495994100 /nfs/dbraw/zinc/99/41/00/495994100.db2.gz OBENCESLDQJDAT-ZDUSSCGKSA-N 1 0 366.303 3.460 10 30 FGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000172216991 496213073 /nfs/dbraw/zinc/21/30/73/496213073.db2.gz JBXWNWLKCIWWPJ-HXUWFJFHSA-N 1 0 363.461 3.351 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000190852520 497622618 /nfs/dbraw/zinc/62/26/18/497622618.db2.gz CIQQLEMRWIGYCO-INIZCTEOSA-N 1 0 363.527 3.248 10 30 FGEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000330259833 498084211 /nfs/dbraw/zinc/08/42/11/498084211.db2.gz SHHNKMFPYJGFRK-YZGWKJHDSA-N 1 0 367.497 3.097 10 30 FGEERO CC(=O)N[C@]1(c2noc(C)n2)CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000328614005 498875317 /nfs/dbraw/zinc/87/53/17/498875317.db2.gz UWDJTSHZILQVPI-GOSISDBHSA-N 1 0 355.373 3.147 10 30 FGEERO [NH3+][C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000379021603 499541627 /nfs/dbraw/zinc/54/16/27/499541627.db2.gz BHQOQQRTAKHIOB-OIBJUYFYSA-N 1 0 358.257 3.339 10 30 FGEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000014749226 519286942 /nfs/dbraw/zinc/28/69/42/519286942.db2.gz YAWACPYLJHLSBY-INIZCTEOSA-N 1 0 372.900 3.071 10 30 FGEERO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000180852291 705760458 /nfs/dbraw/zinc/76/04/58/705760458.db2.gz XAHGDJNDMFAIIY-LBPRGKRZSA-N 1 0 359.451 3.316 10 30 FGEERO C[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N(C)Cc1ccc(Cl)s1 ZINC000262246944 713722456 /nfs/dbraw/zinc/72/24/56/713722456.db2.gz PURLOPJRGBVVFI-CQSZACIVSA-N 1 0 355.866 3.281 10 30 FGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)c1 ZINC000262438579 713725600 /nfs/dbraw/zinc/72/56/00/713725600.db2.gz GYHSSLGTHACWSI-WBVHZDCISA-N 1 0 358.511 3.245 10 30 FGEERO COc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000027028136 206338833 /nfs/dbraw/zinc/33/88/33/206338833.db2.gz AYFAUUVYSQUMOZ-UHFFFAOYSA-O 1 0 366.416 3.175 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056182378 494466644 /nfs/dbraw/zinc/46/66/44/494466644.db2.gz WOFUDHMKQCVMDQ-ZIAGYGMSSA-N 1 0 353.422 3.253 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000046170767 494500830 /nfs/dbraw/zinc/50/08/30/494500830.db2.gz RKLOSLKTCQNLFO-UONOGXRCSA-N 1 0 351.406 3.007 10 30 FGEERO C=CCOc1cccc(NC(=O)N2CC[N@@H+](CCOCC)[C@@H](CC)C2)c1 ZINC000119969493 495279554 /nfs/dbraw/zinc/27/95/54/495279554.db2.gz KOHBMVQEYBQEEB-SFHVURJKSA-N 1 0 361.486 3.216 10 30 FGEERO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Cn3cccn3)CC2)cc1Cl ZINC000106183970 495426412 /nfs/dbraw/zinc/42/64/12/495426412.db2.gz CQSBXJRYJHLTIQ-UHFFFAOYSA-N 1 0 371.872 3.149 10 30 FGEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120961896 495493338 /nfs/dbraw/zinc/49/33/38/495493338.db2.gz YNRKXVJVLIZPJO-KRWDZBQOSA-N 1 0 369.465 3.436 10 30 FGEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062106 495841733 /nfs/dbraw/zinc/84/17/33/495841733.db2.gz LXGCIQCDSUKXQL-NHYWBVRUSA-N 1 0 369.387 3.146 10 30 FGEERO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000172139875 496180822 /nfs/dbraw/zinc/18/08/22/496180822.db2.gz HZZYSZIGCODURY-FQEVSTJZSA-N 1 0 361.445 3.057 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000172185327 496199475 /nfs/dbraw/zinc/19/94/75/496199475.db2.gz OAVUGCBUTSOZJC-KSSFIOAISA-N 1 0 365.433 3.032 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175057978 496229137 /nfs/dbraw/zinc/22/91/37/496229137.db2.gz PTPSOAJGXKFHPT-WOJBJXKFSA-N 1 0 368.525 3.109 10 30 FGEERO COc1ccc([C@H](C)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245121 497047837 /nfs/dbraw/zinc/04/78/37/497047837.db2.gz DMLAWTVFUPUIIH-IERDGZPVSA-N 1 0 363.461 3.061 10 30 FGEERO C#Cc1cccc(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190493223 497502847 /nfs/dbraw/zinc/50/28/47/497502847.db2.gz IQMYEUMPRUJMCH-KRWDZBQOSA-N 1 0 368.506 3.419 10 30 FGEERO N#Cc1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000301739887 498245407 /nfs/dbraw/zinc/24/54/07/498245407.db2.gz XBTZKGVAWVBVPA-CVEARBPZSA-N 1 0 353.388 3.003 10 30 FGEERO CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000328614006 498876017 /nfs/dbraw/zinc/87/60/17/498876017.db2.gz UWDJTSHZILQVPI-SFHVURJKSA-N 1 0 355.373 3.147 10 30 FGEERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000379021600 499541631 /nfs/dbraw/zinc/54/16/31/499541631.db2.gz BHQOQQRTAKHIOB-GMSGAONNSA-N 1 0 358.257 3.339 10 30 FGEERO C=C(C)C[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014733647 518600332 /nfs/dbraw/zinc/60/03/32/518600332.db2.gz MJQUGVMQBMZUSG-MRXNPFEDSA-N 1 0 370.497 3.041 10 30 FGEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CCC(C(F)(F)F)CC1 ZINC000128715571 700778814 /nfs/dbraw/zinc/77/88/14/700778814.db2.gz MUEYZHRVPWXWKU-PCGVCOGMSA-N 1 0 361.452 3.476 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N(C)Cc1cc(Cl)cn1C ZINC000261945873 713716094 /nfs/dbraw/zinc/71/60/94/713716094.db2.gz FWBPVWIFTKCRLY-INIZCTEOSA-N 1 0 369.296 3.073 10 30 FGEERO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000072866968 494271726 /nfs/dbraw/zinc/27/17/26/494271726.db2.gz SETKWIHKDFENBI-TZIWHRDSSA-N 1 0 363.461 3.475 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)cc1OC ZINC000185667608 495669719 /nfs/dbraw/zinc/66/97/19/495669719.db2.gz HUXAOZCOQKCCIS-VQTJNVASSA-N 1 0 361.482 3.324 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177184938 495967015 /nfs/dbraw/zinc/96/70/15/495967015.db2.gz FDAVHXBLIHAAJS-QZTJIDSGSA-N 1 0 364.493 3.296 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000171710301 495999221 /nfs/dbraw/zinc/99/92/21/495999221.db2.gz SKGRTPDTDQTQJF-CYBMUJFWSA-N 1 0 366.303 3.460 10 30 FGEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175009949 496206458 /nfs/dbraw/zinc/20/64/58/496206458.db2.gz LSVRYBOXUIBJTD-IBGZPJMESA-N 1 0 374.406 3.346 10 30 FGEERO Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156475793 496256183 /nfs/dbraw/zinc/25/61/83/496256183.db2.gz NLPBFWRGUFLWRO-LJQANCHMSA-N 1 0 350.466 3.465 10 30 FGEERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000189904373 497287343 /nfs/dbraw/zinc/28/73/43/497287343.db2.gz HXTYBQQWDASUCY-AWEZNQCLSA-N 1 0 365.462 3.485 10 30 FGEERO C=CCOc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190577279 497534230 /nfs/dbraw/zinc/53/42/30/497534230.db2.gz AKGMDOJGWPTBOT-IBGZPJMESA-N 1 0 365.477 3.241 10 30 FGEERO C=CCOc1cccc(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000190588781 497536291 /nfs/dbraw/zinc/53/62/91/497536291.db2.gz DBVVMODTPMRNNX-UHFFFAOYSA-N 1 0 374.525 3.489 10 30 FGEERO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@@H]2CC[C@H](C[NH3+])O2)n1 ZINC000328608450 518505306 /nfs/dbraw/zinc/50/53/06/518505306.db2.gz ZBLWQRJMXSDVKE-OLZOCXBDSA-N 1 0 364.833 3.142 10 30 FGEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000124612008 700722376 /nfs/dbraw/zinc/72/23/76/700722376.db2.gz YDHXVTQCPJYCST-ZIAGYGMSSA-N 1 0 359.440 3.213 10 30 FGEERO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151345589 704920234 /nfs/dbraw/zinc/92/02/34/704920234.db2.gz HSOGJYRXIOLOMA-SJLPKXTDSA-N 1 0 352.906 3.315 10 30 FGEERO C[N+](C)(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CCCC1 ZINC000029414133 717118367 /nfs/dbraw/zinc/11/83/67/717118367.db2.gz WFQIGGLREVIJNT-UHFFFAOYSA-O 1 0 358.506 3.317 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000190451802 257368460 /nfs/dbraw/zinc/36/84/60/257368460.db2.gz QDUHNAWAOGHPLB-INIZCTEOSA-N 1 0 369.494 3.309 10 30 FGEERO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000072866971 494271497 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FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173493503 495557784 /nfs/dbraw/zinc/55/77/84/495557784.db2.gz ZHRGEGZPQKPQDW-MRXNPFEDSA-N 1 0 362.543 3.381 10 30 FGEERO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)c(C#N)c1C ZINC000180645796 496084901 /nfs/dbraw/zinc/08/49/01/496084901.db2.gz GJCHMWZSKRHXQT-AWEZNQCLSA-N 1 0 363.421 3.243 10 30 FGEERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000189904389 497287464 /nfs/dbraw/zinc/28/74/64/497287464.db2.gz HXTYBQQWDASUCY-CQSZACIVSA-N 1 0 365.462 3.485 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000301739890 498245899 /nfs/dbraw/zinc/24/58/99/498245899.db2.gz XBTZKGVAWVBVPA-JKSUJKDBSA-N 1 0 353.388 3.003 10 30 FGEERO COc1ccccc1NC1=C([n+]2ccccc2)C(=O)c2ccccc2C1=O ZINC000039263726 205044814 /nfs/dbraw/zinc/04/48/14/205044814.db2.gz MQDQBWGTGWZWJL-UHFFFAOYSA-O 1 0 357.389 3.343 10 30 FGEERO COc1ccc(OC)c(-c2c(C#N)c(SC)nc3c2C[N@H+](C)CC3)c1 ZINC000040570089 205072918 /nfs/dbraw/zinc/07/29/18/205072918.db2.gz YAPXJWIGOBGJOB-UHFFFAOYSA-N 1 0 355.463 3.347 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000079306686 494434282 /nfs/dbraw/zinc/43/42/82/494434282.db2.gz HIFGZPIJWRTGPB-GJZGRUSLSA-N 1 0 359.470 3.086 10 30 FGEERO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000056752836 494556410 /nfs/dbraw/zinc/55/64/10/494556410.db2.gz MBBQYANAZJSBNQ-IBGZPJMESA-N 1 0 370.497 3.107 10 30 FGEERO C[N@H+](CCOc1ccc(C#N)cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162529 495422460 /nfs/dbraw/zinc/42/24/60/495422460.db2.gz XWBYJPDKDIBLDY-LJQANCHMSA-N 1 0 371.506 3.004 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CCC2 ZINC000140350808 495494041 /nfs/dbraw/zinc/49/40/41/495494041.db2.gz IHFYCNPNGSHWOC-XOBRGWDASA-N 1 0 373.522 3.064 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000182359637 495533172 /nfs/dbraw/zinc/53/31/72/495533172.db2.gz QDZMPZXVWIYPLS-RBUKOAKNSA-N 1 0 359.518 3.345 10 30 FGEERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCOCC2 ZINC000185658159 495666063 /nfs/dbraw/zinc/66/60/63/495666063.db2.gz DXBDALCYYPICGX-UXHICEINSA-N 1 0 358.482 3.433 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000178775432 496566913 /nfs/dbraw/zinc/56/69/13/496566913.db2.gz FKJVIUPQZHQTOM-INIZCTEOSA-N 1 0 355.404 3.110 10 30 FGEERO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000249878959 497255691 /nfs/dbraw/zinc/25/56/91/497255691.db2.gz HISKIOREBAZWKX-ICSRJNTNSA-N 1 0 355.507 3.306 10 30 FGEERO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237987248 497324358 /nfs/dbraw/zinc/32/43/58/497324358.db2.gz XDRMJFKLMSNCBU-BXUZGUMPSA-N 1 0 355.251 3.230 10 30 FGEERO C=CC[NH+]1CCC(Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301247257 498019420 /nfs/dbraw/zinc/01/94/20/498019420.db2.gz QNHSZVJBOYKYMT-UHFFFAOYSA-N 1 0 353.426 3.423 10 30 FGEERO C=C(Br)CNC(NCC1CCC(C(F)(F)F)CC1)=[NH+]C ZINC000081721579 700339183 /nfs/dbraw/zinc/33/91/83/700339183.db2.gz WDVDZKAUDNMNHZ-UHFFFAOYSA-N 1 0 356.230 3.429 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000109071377 700529862 /nfs/dbraw/zinc/52/98/62/700529862.db2.gz UIZAHFRFHUOSBP-MRXNPFEDSA-N 1 0 358.873 3.453 10 30 FGEERO CCOC(=NC(=O)c1ccc(OC)cc1)N[C@@H](C)CCC[NH+](CC)CC ZINC000004513634 493880291 /nfs/dbraw/zinc/88/02/91/493880291.db2.gz KPKCQAOAVJLTBK-INIZCTEOSA-N 1 0 363.502 3.328 10 30 FGEERO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1OCCCC#N ZINC000131947228 494782733 /nfs/dbraw/zinc/78/27/33/494782733.db2.gz WWMQOVLIZORYPM-GOSISDBHSA-N 1 0 354.454 3.448 10 30 FGEERO C=CCOc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1OC ZINC000093271935 494854127 /nfs/dbraw/zinc/85/41/27/494854127.db2.gz KENXVJMFMBPPKU-UHFFFAOYSA-N 1 0 368.481 3.071 10 30 FGEERO C=CCc1cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc(OC)c1O ZINC000121943126 494895830 /nfs/dbraw/zinc/89/58/30/494895830.db2.gz HENSDNNNOLJQKW-QGZVFWFLSA-N 1 0 370.497 3.250 10 30 FGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000121973182 494901493 /nfs/dbraw/zinc/90/14/93/494901493.db2.gz CIOFQRAUCAQCFJ-LJQANCHMSA-N 1 0 370.497 3.381 10 30 FGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000121979535 494903200 /nfs/dbraw/zinc/90/32/00/494903200.db2.gz RKIHFMFGPVEDGD-FQEVSTJZSA-N 1 0 352.482 3.209 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122685303 495015813 /nfs/dbraw/zinc/01/58/13/495015813.db2.gz YSWFEWVLIUAOPO-PBHICJAKSA-N 1 0 367.415 3.085 10 30 FGEERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C12CCOCC2 ZINC000185666086 495669640 /nfs/dbraw/zinc/66/96/40/495669640.db2.gz PYEGLBMCTPGXAM-UXHICEINSA-N 1 0 357.498 3.100 10 30 FGEERO CC(=O)N[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191451068 496766633 /nfs/dbraw/zinc/76/66/33/496766633.db2.gz DNOGFSXANOUGMC-JOCHJYFZSA-N 1 0 361.489 3.487 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000247357144 496842709 /nfs/dbraw/zinc/84/27/09/496842709.db2.gz OIHYFSVRBMWEFU-CRAIPNDOSA-N 1 0 367.449 3.189 10 30 FGEERO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245858219 497552330 /nfs/dbraw/zinc/55/23/30/497552330.db2.gz PORIWCUHKWFHSP-VQIMIIECSA-N 1 0 363.465 3.337 10 30 FGEERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245935726 497577062 /nfs/dbraw/zinc/57/70/62/497577062.db2.gz KWCTXMZUIBMAOK-DYVFJYSZSA-N 1 0 371.872 3.208 10 30 FGEERO COc1ccc([C@@H]2[C@H](CNc3nnc(C)c(C)c3C#N)CCC[N@@H+]2C)cc1 ZINC000301307551 498049718 /nfs/dbraw/zinc/04/97/18/498049718.db2.gz VQNIZZFAXTUNGC-FXAWDEMLSA-N 1 0 365.481 3.469 10 30 FGEERO C[C@@H]1C[N@@H+](CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@H](C)O1 ZINC000301596765 498180792 /nfs/dbraw/zinc/18/07/92/498180792.db2.gz ZNZLGJGSBGPMMG-BETUJISGSA-N 1 0 368.934 3.384 10 30 FGEERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302528550 498502014 /nfs/dbraw/zinc/50/20/14/498502014.db2.gz KQSFOFVYBQJICZ-CYBMUJFWSA-N 1 0 358.873 3.041 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1CCC[C@@H](SC)C1 ZINC000262799567 713729466 /nfs/dbraw/zinc/72/94/66/713729466.db2.gz QPMFQGNYPPJJIT-OAGGEKHMSA-N 1 0 355.935 3.213 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCC[C@H](SC)C1 ZINC000262810337 713729509 /nfs/dbraw/zinc/72/95/09/713729509.db2.gz UWORLEZZFWBFHK-PMPSAXMXSA-N 1 0 355.935 3.213 10 30 FGEERO Cc1ccccc1NC(=O)C[N+](C)(C)CC(=O)Nc1c(C)cccc1C ZINC000002038042 717094688 /nfs/dbraw/zinc/09/46/88/717094688.db2.gz FOQKGOMFQLLBOJ-UHFFFAOYSA-O 1 0 354.474 3.265 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090561526 494482400 /nfs/dbraw/zinc/48/24/00/494482400.db2.gz JSNLEHWIIDBAOI-SFHVURJKSA-N 1 0 360.458 3.386 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000126662080 494812963 /nfs/dbraw/zinc/81/29/63/494812963.db2.gz YCGGCKNVGXHPIH-GFCCVEGCSA-N 1 0 353.253 3.300 10 30 FGEERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000180121116 495867717 /nfs/dbraw/zinc/86/77/17/495867717.db2.gz JTKHRNLIIPEXRG-HXUWFJFHSA-N 1 0 360.465 3.301 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180672360 496097652 /nfs/dbraw/zinc/09/76/52/496097652.db2.gz ANLPWDCNRZXAJK-CVEARBPZSA-N 1 0 359.433 3.422 10 30 FGEERO Cc1ccc(C#N)c(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000161240403 496135840 /nfs/dbraw/zinc/13/58/40/496135840.db2.gz PRXZUAORRPZSIP-HXUWFJFHSA-N 1 0 350.466 3.119 10 30 FGEERO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000172112594 496169223 /nfs/dbraw/zinc/16/92/23/496169223.db2.gz GILLEXDLYQYJAT-INIZCTEOSA-N 1 0 357.475 3.343 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000175034002 496219138 /nfs/dbraw/zinc/21/91/38/496219138.db2.gz QMUOZXKTARLSJS-RTBURBONSA-N 1 0 355.482 3.193 10 30 FGEERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000163148590 496473011 /nfs/dbraw/zinc/47/30/11/496473011.db2.gz FIMUFPZFTHWXPY-NSHDSACASA-N 1 0 354.884 3.398 10 30 FGEERO C=CCOc1ccc(CN2CCO[C@@H](c3cnn(CC)c3)C2)cc1OC ZINC000191705590 496860800 /nfs/dbraw/zinc/86/08/00/496860800.db2.gz OUJNKGZALLLVDY-HXUWFJFHSA-N 1 0 357.454 3.050 10 30 FGEERO C=CCC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000190068701 497345322 /nfs/dbraw/zinc/34/53/22/497345322.db2.gz PXTAYBUVKMYALP-RXVVDRJESA-N 1 0 358.526 3.288 10 30 FGEERO C#CCCOc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190473211 497494606 /nfs/dbraw/zinc/49/46/06/497494606.db2.gz RGFLYELAORBYPZ-JOCHJYFZSA-N 1 0 363.505 3.438 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190518990 497514328 /nfs/dbraw/zinc/51/43/28/497514328.db2.gz ZFUNUOPZVVZVCN-CQSZACIVSA-N 1 0 372.469 3.056 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000245909648 497568458 /nfs/dbraw/zinc/56/84/58/497568458.db2.gz DACFZRSRVCZLII-SJLPKXTDSA-N 1 0 372.538 3.321 10 30 FGEERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000180724126 705754726 /nfs/dbraw/zinc/75/47/26/705754726.db2.gz XFVHWAXDIVTBMU-GFCCVEGCSA-N 1 0 366.845 3.475 10 30 FGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182572403 705851197 /nfs/dbraw/zinc/85/11/97/705851197.db2.gz CQBWSIXVNGCTHO-BLLLJJGKSA-N 1 0 352.276 3.154 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)Nc1cc(C)on1 ZINC000249703230 717164503 /nfs/dbraw/zinc/16/45/03/717164503.db2.gz JVQKNGFXHLAPPS-HSZRJFAPSA-O 1 0 371.417 3.189 10 30 FGEERO C=CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000029954374 493869988 /nfs/dbraw/zinc/86/99/88/493869988.db2.gz SBFCONAITZADLC-SFHVURJKSA-N 1 0 354.450 3.293 10 30 FGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000109070684 494826798 /nfs/dbraw/zinc/82/67/98/494826798.db2.gz AMJBGWYLYSDXKF-SFHVURJKSA-N 1 0 368.481 3.199 10 30 FGEERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000121944102 494896209 /nfs/dbraw/zinc/89/62/09/494896209.db2.gz VDOUPJXHDGQKST-KXBFYZLASA-N 1 0 353.470 3.098 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000136899966 495408430 /nfs/dbraw/zinc/40/84/30/495408430.db2.gz ULJWQRYMRLZMLX-SBHAEUEKSA-N 1 0 363.546 3.022 10 30 FGEERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666847 496095426 /nfs/dbraw/zinc/09/54/26/496095426.db2.gz QKJXWSGTHBEZHH-HZPDHXFCSA-N 1 0 359.433 3.422 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000180887378 496186846 /nfs/dbraw/zinc/18/68/46/496186846.db2.gz CEUHIUXLNFIZIP-QWHCGFSZSA-N 1 0 371.437 3.463 10 30 FGEERO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172542544 496335617 /nfs/dbraw/zinc/33/56/17/496335617.db2.gz IUZNMAQPCXYFAU-AWEZNQCLSA-N 1 0 354.372 3.190 10 30 FGEERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000195261491 496866371 /nfs/dbraw/zinc/86/63/71/496866371.db2.gz HTMVNGXHDVNMHX-SFHVURJKSA-N 1 0 370.522 3.156 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3n3cccn3)C2=O)cc1 ZINC000248744736 497096432 /nfs/dbraw/zinc/09/64/32/497096432.db2.gz MXCPYPFEXLECFJ-SLFFLAALSA-N 1 0 363.465 3.024 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000190499598 497506546 /nfs/dbraw/zinc/50/65/46/497506546.db2.gz VZTPPFLGNJYDGH-LJQANCHMSA-N 1 0 357.498 3.186 10 30 FGEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000246120384 497627583 /nfs/dbraw/zinc/62/75/83/497627583.db2.gz DDUSRXCJTXFWDH-MRXNPFEDSA-N 1 0 354.416 3.100 10 30 FGEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000124611624 700722472 /nfs/dbraw/zinc/72/24/72/700722472.db2.gz YDHXVTQCPJYCST-UONOGXRCSA-N 1 0 359.440 3.213 10 30 FGEERO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccs1 ZINC000182556192 705850047 /nfs/dbraw/zinc/85/00/47/705850047.db2.gz UINRGLOQDMVKIX-CYBMUJFWSA-N 1 0 351.435 3.095 10 30 FGEERO C=CCn1c(C(=O)NCC[NH+]2CCCC2)cc2oc(Br)cc21 ZINC000223728423 713570840 /nfs/dbraw/zinc/57/08/40/713570840.db2.gz BGBUOGSSHVQQFP-UHFFFAOYSA-N 1 0 366.259 3.008 10 30 FGEERO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N+](C)(C)C1CCCC1 ZINC000029414887 717118847 /nfs/dbraw/zinc/11/88/47/717118847.db2.gz LUGWNNCEIJOUBM-UHFFFAOYSA-O 1 0 369.533 3.183 10 30 FGEERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048416123 493827486 /nfs/dbraw/zinc/82/74/86/493827486.db2.gz ZPWDFRDKUGYOSI-AWEZNQCLSA-N 1 0 355.404 3.086 10 30 FGEERO CCn1c(CC[NH3+])nnc1Sc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092665048 494703052 /nfs/dbraw/zinc/70/30/52/494703052.db2.gz ZDNOUVPSCPTDMX-UHFFFAOYSA-N 1 0 358.858 3.024 10 30 FGEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000113231382 495287066 /nfs/dbraw/zinc/28/70/66/495287066.db2.gz WWYWJRDWXKOWKU-DOTOQJQBSA-N 1 0 365.433 3.039 10 30 FGEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1Cl ZINC000154700798 495700339 /nfs/dbraw/zinc/70/03/39/495700339.db2.gz MYVPPRUHFJQVQT-QGZVFWFLSA-N 1 0 370.840 3.089 10 30 FGEERO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180024245 495827852 /nfs/dbraw/zinc/82/78/52/495827852.db2.gz CKLJDXXPNUMVKB-QAPCUYQASA-N 1 0 352.438 3.402 10 30 FGEERO CCO[C@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C12CCOCC2 ZINC000186284091 495927941 /nfs/dbraw/zinc/92/79/41/495927941.db2.gz MWYIAQNGNGETGC-OALUTQOASA-N 1 0 360.523 3.355 10 30 FGEERO C=C[C@@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188617571 496852924 /nfs/dbraw/zinc/85/29/24/496852924.db2.gz YRYRLIDPGZYHFT-IRLDBZIGSA-N 1 0 358.526 3.493 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000245909643 497568111 /nfs/dbraw/zinc/56/81/11/497568111.db2.gz DACFZRSRVCZLII-AEFFLSMTSA-N 1 0 372.538 3.321 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000246091063 497618532 /nfs/dbraw/zinc/61/85/32/497618532.db2.gz NSQDNHZDFJYDEF-MJGOQNOKSA-N 1 0 374.916 3.145 10 30 FGEERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246486213 497749899 /nfs/dbraw/zinc/74/98/99/497749899.db2.gz PBEQMMLGPITVPZ-WZONZLPQSA-N 1 0 361.489 3.378 10 30 FGEERO N#CCCn1cc(C(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000246587007 497782805 /nfs/dbraw/zinc/78/28/05/497782805.db2.gz CLUSPQTUCOITDD-HTAPYJJXSA-N 1 0 365.477 3.365 10 30 FGEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000301713524 498236147 /nfs/dbraw/zinc/23/61/47/498236147.db2.gz IYNAEMBISSCHIF-CVEARBPZSA-N 1 0 353.388 3.003 10 30 FGEERO N#CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000381854126 499545235 /nfs/dbraw/zinc/54/52/35/499545235.db2.gz LOPAHFNYUWAAPI-VAMGGRTRSA-N 1 0 351.494 3.487 10 30 FGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182572459 705851343 /nfs/dbraw/zinc/85/13/43/705851343.db2.gz CQBWSIXVNGCTHO-WBMJQRKESA-N 1 0 352.276 3.154 10 30 FGEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H](C)c1ccc2ccccc2c1 ZINC000262381779 713724502 /nfs/dbraw/zinc/72/45/02/713724502.db2.gz KNWLFHUCWQBEOF-MGPUTAFESA-N 1 0 357.523 3.324 10 30 FGEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000121942700 494896349 /nfs/dbraw/zinc/89/63/49/494896349.db2.gz REVLNIMGLSYCRX-HXUWFJFHSA-N 1 0 367.497 3.490 10 30 FGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000106211726 495432511 /nfs/dbraw/zinc/43/25/11/495432511.db2.gz STNOWAMCSOOIPK-GOSISDBHSA-N 1 0 351.454 3.074 10 30 FGEERO C=CC1CCN(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000173503881 495562361 /nfs/dbraw/zinc/56/23/61/495562361.db2.gz HOQVNCDDRYEDJO-OAQYLSRUSA-N 1 0 371.525 3.040 10 30 FGEERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000171412431 495863860 /nfs/dbraw/zinc/86/38/60/495863860.db2.gz PHVFWJWVXRZCNV-KRWDZBQOSA-N 1 0 357.845 3.111 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000180663661 496093677 /nfs/dbraw/zinc/09/36/77/496093677.db2.gz OLWCUSUWXNJNOV-DLBZAZTESA-N 1 0 365.481 3.254 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180663645 496093906 /nfs/dbraw/zinc/09/39/06/496093906.db2.gz OLWCUSUWXNJNOV-SJORKVTESA-N 1 0 365.481 3.254 10 30 FGEERO CC(C)(C#N)CCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000174849986 496133467 /nfs/dbraw/zinc/13/34/67/496133467.db2.gz RLUFTPMUMVUCTG-UHFFFAOYSA-N 1 0 351.498 3.320 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177709556 496167339 /nfs/dbraw/zinc/16/73/39/496167339.db2.gz LKECOXSWCKILKN-HNNXBMFYSA-N 1 0 374.554 3.243 10 30 FGEERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000180862087 496176126 /nfs/dbraw/zinc/17/61/26/496176126.db2.gz RUQHRSZFSOQWTA-LBPRGKRZSA-N 1 0 357.410 3.075 10 30 FGEERO CN(C)C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181421596 496388180 /nfs/dbraw/zinc/38/81/80/496388180.db2.gz ZSXGXWUTOLKIDW-QHCPKHFHSA-N 1 0 362.521 3.415 10 30 FGEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000247352055 496843357 /nfs/dbraw/zinc/84/33/57/496843357.db2.gz OBFIQZZSXIIUAL-WMLDXEAASA-N 1 0 367.415 3.085 10 30 FGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000188771194 496904122 /nfs/dbraw/zinc/90/41/22/496904122.db2.gz RHAUCRRMKGBQKT-MRXNPFEDSA-N 1 0 359.474 3.006 10 30 FGEERO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977738 496951389 /nfs/dbraw/zinc/95/13/89/496951389.db2.gz IFDJRONMZDTTLO-MRXNPFEDSA-N 1 0 357.498 3.357 10 30 FGEERO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1 ZINC000189918718 497292344 /nfs/dbraw/zinc/29/23/44/497292344.db2.gz GDVVEDRIAYHDFP-INIZCTEOSA-N 1 0 359.433 3.423 10 30 FGEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190507676 497508116 /nfs/dbraw/zinc/50/81/16/497508116.db2.gz AYBXLSYJCOYZGE-SFHVURJKSA-N 1 0 363.465 3.248 10 30 FGEERO COc1ccc([C@H]2[C@H](CNc3nnc(C)c(C)c3C#N)CCC[N@@H+]2C)cc1 ZINC000301307552 498050174 /nfs/dbraw/zinc/05/01/74/498050174.db2.gz VQNIZZFAXTUNGC-PXNSSMCTSA-N 1 0 365.481 3.469 10 30 FGEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301713911 498235626 /nfs/dbraw/zinc/23/56/26/498235626.db2.gz IYNAEMBISSCHIF-HZPDHXFCSA-N 1 0 353.388 3.003 10 30 FGEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099026 518303955 /nfs/dbraw/zinc/30/39/55/518303955.db2.gz JMMIMLRQVDACAD-QFIPXVFZSA-N 1 0 355.453 3.455 10 30 FGEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)N(C)Cc1c(F)cccc1Cl ZINC000073773024 695972919 /nfs/dbraw/zinc/97/29/19/695972919.db2.gz NZDDUERSBCUKHB-UHFFFAOYSA-N 1 0 363.868 3.219 10 30 FGEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000074702320 700197729 /nfs/dbraw/zinc/19/77/29/700197729.db2.gz VTJAHEKQQXUKFH-NSHDSACASA-N 1 0 359.301 3.086 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085965623 700369030 /nfs/dbraw/zinc/36/90/30/700369030.db2.gz SMLABBLNKYDMCF-XJKSGUPXSA-N 1 0 352.272 3.102 10 30 FGEERO C=CCOc1ccc(-c2nn(CN3CC[C@H]([NH+](C)C)C3)c(=S)o2)cc1 ZINC000158618529 705192451 /nfs/dbraw/zinc/19/24/51/705192451.db2.gz MVVGPLNJBUPEHG-HNNXBMFYSA-N 1 0 360.483 3.031 10 30 FGEERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329698420 713831652 /nfs/dbraw/zinc/83/16/52/713831652.db2.gz FPXYZOZMOYVRQC-ZMSDIMECSA-N 1 0 352.523 3.240 10 30 FGEERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329698419 713831833 /nfs/dbraw/zinc/83/18/33/713831833.db2.gz FPXYZOZMOYVRQC-BFYDXBDKSA-N 1 0 352.523 3.240 10 30 FGEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)NCC1CCC1 ZINC000246246166 717164358 /nfs/dbraw/zinc/16/43/58/717164358.db2.gz KHHLOLLAZNCNID-HSZRJFAPSA-O 1 0 358.462 3.170 10 30 FGEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103993 494087970 /nfs/dbraw/zinc/08/79/70/494087970.db2.gz MITHRBTZINDNQO-JOCHJYFZSA-N 1 0 355.453 3.455 10 30 FGEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103991 494088209 /nfs/dbraw/zinc/08/82/09/494088209.db2.gz MITHRBTZINDNQO-QFIPXVFZSA-N 1 0 355.453 3.455 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056182272 494467123 /nfs/dbraw/zinc/46/71/23/494467123.db2.gz IAHKONMPLUYLLW-KBPBESRZSA-N 1 0 353.422 3.253 10 30 FGEERO C=CCc1cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc(OC)c1O ZINC000092813917 494762351 /nfs/dbraw/zinc/76/23/51/494762351.db2.gz FSBBZPCODPCHLU-OAHLLOKOSA-N 1 0 357.454 3.275 10 30 FGEERO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)cc(OC)c1O ZINC000185652000 495663544 /nfs/dbraw/zinc/66/35/44/495663544.db2.gz SMSYEDOZLLEEMB-RTBURBONSA-N 1 0 361.482 3.193 10 30 FGEERO CCO[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C12CCOCC2 ZINC000186284134 495928271 /nfs/dbraw/zinc/92/82/71/495928271.db2.gz MWYIAQNGNGETGC-MOPGFXCFSA-N 1 0 360.523 3.355 10 30 FGEERO N#Cc1ccc(OCc2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000172217438 496213244 /nfs/dbraw/zinc/21/32/44/496213244.db2.gz YSPVQRVZDSXFRA-FQEVSTJZSA-N 1 0 361.445 3.057 10 30 FGEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000246966906 496738534 /nfs/dbraw/zinc/73/85/34/496738534.db2.gz DOAUESOLNOYBBP-QAPCUYQASA-N 1 0 365.433 3.039 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247346352 496841979 /nfs/dbraw/zinc/84/19/79/496841979.db2.gz XWBBFMLKEDTYSR-ABSDTBQOSA-N 1 0 362.539 3.278 10 30 FGEERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000195338288 496894150 /nfs/dbraw/zinc/89/41/50/496894150.db2.gz HWCVOLDCFTUZSD-LBPRGKRZSA-N 1 0 357.435 3.070 10 30 FGEERO C=CCc1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc(OC)c1O ZINC000190288637 497424870 /nfs/dbraw/zinc/42/48/70/497424870.db2.gz CWNLRLFIFRVCCX-ROUUACIJSA-N 1 0 359.491 3.399 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000190852923 497622795 /nfs/dbraw/zinc/62/27/95/497622795.db2.gz OXAKPLIMLLIWRA-HNNXBMFYSA-N 1 0 363.527 3.248 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000246129912 497630995 /nfs/dbraw/zinc/63/09/95/497630995.db2.gz FDAVHXBLIHAAJS-ROUUACIJSA-N 1 0 364.493 3.296 10 30 FGEERO Cn1cc(C2CC[NH2+]CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21 ZINC000584628473 507434457 /nfs/dbraw/zinc/43/44/57/507434457.db2.gz HYIOALXNYXXKAV-UHFFFAOYSA-N 1 0 359.433 3.164 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(CC)C1 ZINC000041663435 695765164 /nfs/dbraw/zinc/76/51/64/695765164.db2.gz VZDJHFOXIWDVQZ-MRXNPFEDSA-N 1 0 351.288 3.035 10 30 FGEERO CC[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175576239 705552868 /nfs/dbraw/zinc/55/28/68/705552868.db2.gz HLOMLVMHNCJUST-GFCCVEGCSA-N 1 0 351.907 3.090 10 30 FGEERO C[NH+](C)CCC[C@@](O)(c1ccc(Cl)cc1)c1ccc(C#N)cc1CO ZINC000022057926 207794070 /nfs/dbraw/zinc/79/40/70/207794070.db2.gz ARXRIJOUIXNUGC-HXUWFJFHSA-N 1 0 358.869 3.282 10 30 FGEERO N#Cc1ccnc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)c1 ZINC000019840425 132892869 /nfs/dbraw/zinc/89/28/69/132892869.db2.gz GMTCICKNHKJOQW-YADHBBJMSA-N 1 0 374.488 3.003 10 30 FGEERO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000121412299 494744134 /nfs/dbraw/zinc/74/41/34/494744134.db2.gz QEEIUAUKYCWJTA-INIZCTEOSA-N 1 0 365.433 3.055 10 30 FGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1OC ZINC000092814051 494761230 /nfs/dbraw/zinc/76/12/30/494761230.db2.gz CDWGSCBCBIALST-INIZCTEOSA-N 1 0 357.454 3.406 10 30 FGEERO C[NH+](C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000047859945 494782593 /nfs/dbraw/zinc/78/25/93/494782593.db2.gz KGNQXNCNWDVBEX-LJQANCHMSA-N 1 0 353.491 3.211 10 30 FGEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105148290 495341004 /nfs/dbraw/zinc/34/10/04/495341004.db2.gz PYINHDAQKMAIFK-GOSISDBHSA-N 1 0 372.513 3.087 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666826 496095828 /nfs/dbraw/zinc/09/58/28/496095828.db2.gz QKJXWSGTHBEZHH-JKSUJKDBSA-N 1 0 359.433 3.422 10 30 FGEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000180887417 496187060 /nfs/dbraw/zinc/18/70/60/496187060.db2.gz CEUHIUXLNFIZIP-CHWSQXEVSA-N 1 0 371.437 3.463 10 30 FGEERO C=C(C)C[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000184430145 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FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000190830646 497615609 /nfs/dbraw/zinc/61/56/09/497615609.db2.gz MZAALHOPDYXYJK-UHFFFAOYSA-N 1 0 363.527 3.248 10 30 FGEERO C[C@@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C/C(=N/OCC[NH3+])CC[C@]43C)[C@H]1CCC2=O ZINC000669678885 571212384 /nfs/dbraw/zinc/21/23/84/571212384.db2.gz MPYLDWFDPHRTEG-DLSRREHMSA-N 1 0 360.498 3.109 10 30 FGEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000074650175 700196999 /nfs/dbraw/zinc/19/69/99/700196999.db2.gz RIWRFCRHJUTFGK-NSHDSACASA-N 1 0 359.301 3.086 10 30 FGEERO CC[NH+]=C(NCC1(SC)CCOCC1)N[C@H]1CCc2ccccc2C1 ZINC000080708514 700321170 /nfs/dbraw/zinc/32/11/70/700321170.db2.gz OEZMOXQYUPLIEC-SFHVURJKSA-N 1 0 361.555 3.011 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCC(C(F)(F)F)CC1 ZINC000261650912 713712164 /nfs/dbraw/zinc/71/21/64/713712164.db2.gz MNZJSWZEJZYHAO-MMCPYJTDSA-N 1 0 359.436 3.230 10 30 FGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c1 ZINC000262438569 713725651 /nfs/dbraw/zinc/72/56/51/713725651.db2.gz GYHSSLGTHACWSI-DOTOQJQBSA-N 1 0 358.511 3.245 10 30 FGEERO O=C(C[n+]1cc(-c2ccc([N+](=O)[O-])cc2)n2c1CCC2)c1ccc(F)cc1 ZINC000027546501 209782390 /nfs/dbraw/zinc/78/23/90/209782390.db2.gz MAWKUQIHURBZKK-UHFFFAOYSA-N 1 0 366.372 3.319 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000190451822 257368590 /nfs/dbraw/zinc/36/85/90/257368590.db2.gz QDUHNAWAOGHPLB-MRXNPFEDSA-N 1 0 369.494 3.309 10 30 FGEERO C=CCc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc(OC)c1O ZINC000092812584 494758003 /nfs/dbraw/zinc/75/80/03/494758003.db2.gz KFVHZQZKIROZAW-MRXNPFEDSA-N 1 0 353.466 3.458 10 30 FGEERO Cc1ccc(N2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)nn1 ZINC000093271740 494854689 /nfs/dbraw/zinc/85/46/89/494854689.db2.gz VJBLXBMSOYTHBD-UHFFFAOYSA-N 1 0 365.481 3.180 10 30 FGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000121979231 494903125 /nfs/dbraw/zinc/90/31/25/494903125.db2.gz RKIHFMFGPVEDGD-HXUWFJFHSA-N 1 0 352.482 3.209 10 30 FGEERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000121992216 494904829 /nfs/dbraw/zinc/90/48/29/494904829.db2.gz MQOJBPGAPPAEEU-HXUWFJFHSA-N 1 0 366.513 3.157 10 30 FGEERO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC000117453813 494921560 /nfs/dbraw/zinc/92/15/60/494921560.db2.gz CZDORJWEUJOAOJ-GOSISDBHSA-N 1 0 361.486 3.216 10 30 FGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000127959811 495022909 /nfs/dbraw/zinc/02/29/09/495022909.db2.gz DLWFPPDPLALAKR-QAPCUYQASA-N 1 0 369.490 3.120 10 30 FGEERO C=CCOc1cccc(NC(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)c1 ZINC000119969294 495279341 /nfs/dbraw/zinc/27/93/41/495279341.db2.gz KOHBMVQEYBQEEB-GOSISDBHSA-N 1 0 361.486 3.216 10 30 FGEERO N#CC1(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCCC1 ZINC000115158193 495469077 /nfs/dbraw/zinc/46/90/77/495469077.db2.gz XPUNARYLCJCQHN-HXUWFJFHSA-N 1 0 369.509 3.022 10 30 FGEERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCOCC2 ZINC000185658107 495665811 /nfs/dbraw/zinc/66/58/11/495665811.db2.gz DXBDALCYYPICGX-VQTJNVASSA-N 1 0 358.482 3.433 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)cc1OC ZINC000185667649 495669552 /nfs/dbraw/zinc/66/95/52/495669552.db2.gz HUXAOZCOQKCCIS-WOJBJXKFSA-N 1 0 361.482 3.324 10 30 FGEERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000171246741 495787241 /nfs/dbraw/zinc/78/72/41/495787241.db2.gz BLKNKRSOIQAOPM-QGZVFWFLSA-N 1 0 353.470 3.189 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000180839417 496165881 /nfs/dbraw/zinc/16/58/81/496165881.db2.gz NSQDNHZDFJYDEF-PKOBYXMFSA-N 1 0 374.916 3.145 10 30 FGEERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000180860750 496175020 /nfs/dbraw/zinc/17/50/20/496175020.db2.gz ROIUCVVLRQCBEF-HNNXBMFYSA-N 1 0 359.470 3.039 10 30 FGEERO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000181542179 496438198 /nfs/dbraw/zinc/43/81/98/496438198.db2.gz XLUHXQYCAWMJHT-MRXNPFEDSA-N 1 0 356.382 3.356 10 30 FGEERO N#Cc1ccccc1COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195337545 496894306 /nfs/dbraw/zinc/89/43/06/496894306.db2.gz MUAYLJCIDIBVKL-HXUWFJFHSA-N 1 0 361.445 3.057 10 30 FGEERO C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=NOCC[NH3+])CC[C@@]43C)[C@@H]1CCC2=O ZINC000256309945 497382694 /nfs/dbraw/zinc/38/26/94/497382694.db2.gz MPYLDWFDPHRTEG-IFVNMTGRSA-N 1 0 360.498 3.109 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000190497990 497505469 /nfs/dbraw/zinc/50/54/69/497505469.db2.gz TXVYLSXVZNJRCW-KRWDZBQOSA-N 1 0 351.535 3.444 10 30 FGEERO C=CCc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cc(OC)c1OC ZINC000246830899 497814320 /nfs/dbraw/zinc/81/43/20/497814320.db2.gz AQTGQSROLIWQHN-ROUUACIJSA-N 1 0 358.482 3.131 10 30 FGEERO COc1ccc([C@@H]2[C@@H](CNc3nnc(C)c(C)c3C#N)CCC[N@@H+]2C)cc1 ZINC000301307554 498049778 /nfs/dbraw/zinc/04/97/78/498049778.db2.gz VQNIZZFAXTUNGC-YLJYHZDGSA-N 1 0 365.481 3.469 10 30 FGEERO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116258983 700592205 /nfs/dbraw/zinc/59/22/05/700592205.db2.gz UJEOESNNFXCXSS-OAHLLOKOSA-N 1 0 353.495 3.495 10 30 FGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182573566 705851367 /nfs/dbraw/zinc/85/13/67/705851367.db2.gz QCBZHDKMFPRTEZ-STQMWFEESA-N 1 0 352.276 3.108 10 30 FGEERO CN(Cc1ccccc1Br)C(=O)C[N+](C)(C)C1CCCC1 ZINC000029413953 717118520 /nfs/dbraw/zinc/11/85/20/717118520.db2.gz FYTONSZHJVUKJK-UHFFFAOYSA-N 1 0 354.312 3.427 10 30 FGEERO CCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)C[N@H+](C)CC2 ZINC000040570087 208257194 /nfs/dbraw/zinc/25/71/94/208257194.db2.gz GNYMMDYQFOIGKC-UHFFFAOYSA-N 1 0 367.474 3.263 10 30 FGEERO C=CCC[C@H](O)C[N@@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840527 494082444 /nfs/dbraw/zinc/08/24/44/494082444.db2.gz APMWCPNVPQPZQN-NRFANRHFSA-N 1 0 360.473 3.451 10 30 FGEERO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000043723370 494315021 /nfs/dbraw/zinc/31/50/21/494315021.db2.gz WPZSCBBJZWMBPX-KRWDZBQOSA-N 1 0 366.465 3.438 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000122451150 494977308 /nfs/dbraw/zinc/97/73/08/494977308.db2.gz HJHMWLJYIDSIQN-RISCZKNCSA-N 1 0 352.385 3.010 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000154576303 495659001 /nfs/dbraw/zinc/65/90/01/495659001.db2.gz DACFZRSRVCZLII-WMZOPIPTSA-N 1 0 372.538 3.321 10 30 FGEERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCOCC2 ZINC000185658142 495665768 /nfs/dbraw/zinc/66/57/68/495665768.db2.gz DXBDALCYYPICGX-WOJBJXKFSA-N 1 0 358.482 3.433 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000176988511 495873015 /nfs/dbraw/zinc/87/30/15/495873015.db2.gz ZUFGOEURNIVVHC-KRWDZBQOSA-N 1 0 367.449 3.287 10 30 FGEERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672389 496098565 /nfs/dbraw/zinc/09/85/65/496098565.db2.gz ANLPWDCNRZXAJK-HZPDHXFCSA-N 1 0 359.433 3.422 10 30 FGEERO C=CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc(OC)c1OC ZINC000175003811 496203169 /nfs/dbraw/zinc/20/31/69/496203169.db2.gz AQTGQSROLIWQHN-QZTJIDSGSA-N 1 0 358.482 3.131 10 30 FGEERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000172473389 496310926 /nfs/dbraw/zinc/31/09/26/496310926.db2.gz GTHVHLCMFOIURM-KRWDZBQOSA-N 1 0 359.470 3.326 10 30 FGEERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000153910189 496621813 /nfs/dbraw/zinc/62/18/13/496621813.db2.gz NSJJWYFCODKMNR-OAQYLSRUSA-N 1 0 363.461 3.238 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176154351 496707215 /nfs/dbraw/zinc/70/72/15/496707215.db2.gz JSNLEHWIIDBAOI-GOSISDBHSA-N 1 0 360.458 3.386 10 30 FGEERO CC(=O)N[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191451081 496767032 /nfs/dbraw/zinc/76/70/32/496767032.db2.gz DNOGFSXANOUGMC-QFIPXVFZSA-N 1 0 361.489 3.487 10 30 FGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000247214201 496806964 /nfs/dbraw/zinc/80/69/64/496806964.db2.gz CMPSMROYUXIZTD-PBEJRMEISA-N 1 0 363.461 3.473 10 30 FGEERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cccc(F)c2C#N)CC1 ZINC000192241707 497045003 /nfs/dbraw/zinc/04/50/03/497045003.db2.gz ILTIFWITYQMMDO-UHFFFAOYSA-N 1 0 361.461 3.330 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000109071379 700529773 /nfs/dbraw/zinc/52/97/73/700529773.db2.gz UIZAHFRFHUOSBP-INIZCTEOSA-N 1 0 358.873 3.453 10 30 FGEERO C[NH+]=C(N[C@H](C)c1ccc(F)cc1F)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262329135 713723848 /nfs/dbraw/zinc/72/38/48/713723848.db2.gz APFZRJVTJOXYSS-HWHUXHBOSA-N 1 0 351.441 3.394 10 30 FGEERO CC[NH+](CC)CC#CCOC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000029406790 493837420 /nfs/dbraw/zinc/83/74/20/493837420.db2.gz DRBYLMLUURMIDQ-AWEZNQCLSA-N 1 0 352.272 3.441 10 30 FGEERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C3)cc1 ZINC000096269255 495008581 /nfs/dbraw/zinc/00/85/81/495008581.db2.gz OYOORQODHPBDSJ-FQEVSTJZSA-N 1 0 374.444 3.119 10 30 FGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000106208050 495429993 /nfs/dbraw/zinc/42/99/93/495429993.db2.gz WFDIZQPTVIOATQ-SFHVURJKSA-N 1 0 351.454 3.074 10 30 FGEERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCOCC2 ZINC000185658126 495665744 /nfs/dbraw/zinc/66/57/44/495665744.db2.gz DXBDALCYYPICGX-PMACEKPBSA-N 1 0 358.482 3.433 10 30 FGEERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000171412435 495864631 /nfs/dbraw/zinc/86/46/31/495864631.db2.gz PHVFWJWVXRZCNV-QGZVFWFLSA-N 1 0 357.845 3.111 10 30 FGEERO CCO[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C12CCOCC2 ZINC000186284076 495927988 /nfs/dbraw/zinc/92/79/88/495927988.db2.gz MWYIAQNGNGETGC-RBUKOAKNSA-N 1 0 360.523 3.355 10 30 FGEERO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302709704 498540608 /nfs/dbraw/zinc/54/06/08/498540608.db2.gz HSZJDXXKJIGOFL-GDBMZVCRSA-N 1 0 351.410 3.326 10 30 FGEERO CCO[C@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C12CCOCC2 ZINC000262378079 713724496 /nfs/dbraw/zinc/72/44/96/713724496.db2.gz JWHRFAULDBZVSE-HOTGVXAUSA-N 1 0 367.877 3.049 10 30 FGEERO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ncccc2C#N)CC1 ZINC000065385284 221208255 /nfs/dbraw/zinc/20/82/55/221208255.db2.gz DUWAQHVFNGQJEZ-MRXNPFEDSA-N 1 0 350.466 3.239 10 30 FGEERO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065201920 494178958 /nfs/dbraw/zinc/17/89/58/494178958.db2.gz XZEIWPGNWOKMTM-KRWDZBQOSA-N 1 0 351.410 3.328 10 30 FGEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000046170885 494500457 /nfs/dbraw/zinc/50/04/57/494500457.db2.gz SXTWLZAYZGBOAV-KGLIPLIRSA-N 1 0 351.406 3.007 10 30 FGEERO N#Cc1cnc2ccccc2c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132961800 494949159 /nfs/dbraw/zinc/94/91/59/494949159.db2.gz WNUDRXOIBBKTGU-UXHICEINSA-N 1 0 350.466 3.286 10 30 FGEERO CC(C)[N@H+]1C[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000122685540 495015677 /nfs/dbraw/zinc/01/56/77/495015677.db2.gz YSWFEWVLIUAOPO-YOEHRIQHSA-N 1 0 367.415 3.085 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176343122 495609716 /nfs/dbraw/zinc/60/97/16/495609716.db2.gz OLMWBURXUAMCIT-CYBMUJFWSA-N 1 0 352.385 3.108 10 30 FGEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC000173956746 495764165 /nfs/dbraw/zinc/76/41/65/495764165.db2.gz NAMBIEPTDKPNCU-KRWDZBQOSA-N 1 0 359.539 3.318 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000176850827 495811486 /nfs/dbraw/zinc/81/14/86/495811486.db2.gz OBFIQZZSXIIUAL-PBHICJAKSA-N 1 0 367.415 3.085 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177709542 496166767 /nfs/dbraw/zinc/16/67/67/496166767.db2.gz LKECOXSWCKILKN-OAHLLOKOSA-N 1 0 374.554 3.243 10 30 FGEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191805046 496896930 /nfs/dbraw/zinc/89/69/30/496896930.db2.gz HLCQXOMOXTYQLG-MRXNPFEDSA-N 1 0 359.271 3.490 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245412903 497393129 /nfs/dbraw/zinc/39/31/29/497393129.db2.gz BAMOUMXDTWWALN-IRXDYDNUSA-N 1 0 360.889 3.099 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000190442566 497482537 /nfs/dbraw/zinc/48/25/37/497482537.db2.gz XFIVHUIPGYFLJD-INIZCTEOSA-N 1 0 369.494 3.309 10 30 FGEERO N#Cc1cc(Cl)ccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000301642725 498202388 /nfs/dbraw/zinc/20/23/88/498202388.db2.gz MTBWABRZUGIFJP-WOJBJXKFSA-N 1 0 353.853 3.301 10 30 FGEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000074702322 700197588 /nfs/dbraw/zinc/19/75/88/700197588.db2.gz VTJAHEKQQXUKFH-LLVKDONJSA-N 1 0 359.301 3.086 10 30 FGEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)NC1CCC(C(F)(F)F)CC1 ZINC000124638603 700722604 /nfs/dbraw/zinc/72/26/04/700722604.db2.gz ROSQSCSNVBNCIM-UHFFFAOYSA-N 1 0 359.440 3.213 10 30 FGEERO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000180852311 705760584 /nfs/dbraw/zinc/76/05/84/705760584.db2.gz XAHGDJNDMFAIIY-GFCCVEGCSA-N 1 0 359.451 3.316 10 30 FGEERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000182194861 705829392 /nfs/dbraw/zinc/82/93/92/705829392.db2.gz YZZSTMDCMDTDKW-HNNXBMFYSA-N 1 0 358.463 3.081 10 30 FGEERO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000182194884 705829608 /nfs/dbraw/zinc/82/96/08/705829608.db2.gz YZZSTMDCMDTDKW-OAHLLOKOSA-N 1 0 358.463 3.081 10 30 FGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182572424 705851357 /nfs/dbraw/zinc/85/13/57/705851357.db2.gz CQBWSIXVNGCTHO-LRDDRELGSA-N 1 0 352.276 3.154 10 30 FGEERO C=CCN(C1=[NH+]CCN1)c1c(Br)cccc1Br ZINC000028228607 210244081 /nfs/dbraw/zinc/24/40/81/210244081.db2.gz FOEDZLPEXQVCIO-UHFFFAOYSA-N 1 0 359.065 3.163 10 30 FGEERO C=CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000014958454 210146341 /nfs/dbraw/zinc/14/63/41/210146341.db2.gz OXNTVVMQXVUVHB-NRFANRHFSA-N 1 0 358.482 3.094 10 30 FGEERO Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CC[NH2+]CC3)o2)o1 ZINC000040165768 494138477 /nfs/dbraw/zinc/13/84/77/494138477.db2.gz OWSSBKMVLGNVLS-UHFFFAOYSA-N 1 0 364.405 3.103 10 30 FGEERO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1cccc(F)c1 ZINC000027299761 494860609 /nfs/dbraw/zinc/86/06/09/494860609.db2.gz FCRYEYJZHPCYOX-UHFFFAOYSA-O 1 0 354.380 3.306 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000176187350 495537553 /nfs/dbraw/zinc/53/75/53/495537553.db2.gz IWMRKABZKUTHCC-QGZVFWFLSA-N 1 0 367.415 3.183 10 30 FGEERO C=CCc1cc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)cc(OC)c1O ZINC000185651985 495663593 /nfs/dbraw/zinc/66/35/93/495663593.db2.gz SMSYEDOZLLEEMB-OALUTQOASA-N 1 0 361.482 3.193 10 30 FGEERO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000159965830 495852141 /nfs/dbraw/zinc/85/21/41/495852141.db2.gz UYMMHEACVFNPLA-SFHVURJKSA-N 1 0 371.506 3.134 10 30 FGEERO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180647202 496085641 /nfs/dbraw/zinc/08/56/41/496085641.db2.gz PMICWFYRMBSCIW-ZDUSSCGKSA-N 1 0 351.435 3.095 10 30 FGEERO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000181542159 496438426 /nfs/dbraw/zinc/43/84/26/496438426.db2.gz XLUHXQYCAWMJHT-INIZCTEOSA-N 1 0 356.382 3.356 10 30 FGEERO C=CCC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000190068752 497345171 /nfs/dbraw/zinc/34/51/71/497345171.db2.gz PXTAYBUVKMYALP-WIYYLYMNSA-N 1 0 358.526 3.288 10 30 FGEERO CN1CC[NH+](Cc2ccc3[nH]c(-c4n[nH]c5cc(C#N)ccc54)cc3c2)CC1 ZINC000255004215 497355334 /nfs/dbraw/zinc/35/53/34/497355334.db2.gz UHYLWDQJWOODJB-UHFFFAOYSA-N 1 0 370.460 3.330 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000190492875 497502303 /nfs/dbraw/zinc/50/23/03/497502303.db2.gz PTIXMZFVDMUSQO-LJQANCHMSA-N 1 0 363.465 3.133 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000246129896 497631554 /nfs/dbraw/zinc/63/15/54/497631554.db2.gz FDAVHXBLIHAAJS-MSOLQXFVSA-N 1 0 364.493 3.296 10 30 FGEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC000014745637 519286959 /nfs/dbraw/zinc/28/69/59/519286959.db2.gz HIRHUMJCISDBPW-OAHLLOKOSA-N 1 0 372.900 3.071 10 30 FGEERO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000182508693 705847006 /nfs/dbraw/zinc/84/70/06/705847006.db2.gz PDEXDNNRXPLQIC-BZNIZROVSA-N 1 0 355.360 3.044 10 30 FGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000103473962 495239277 /nfs/dbraw/zinc/23/92/77/495239277.db2.gz UYQKWBZILSWREB-SFHVURJKSA-N 1 0 363.465 3.024 10 30 FGEERO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000120220849 495330688 /nfs/dbraw/zinc/33/06/88/495330688.db2.gz FAZMNFLNISIADB-GOSISDBHSA-N 1 0 368.481 3.151 10 30 FGEERO C=CCOc1ccc(CN2CCN(Cc3cnc(C)s3)CC2)cc1OC ZINC000120444586 495380002 /nfs/dbraw/zinc/38/00/02/495380002.db2.gz YJKJTXVUWRBOGV-UHFFFAOYSA-N 1 0 373.522 3.343 10 30 FGEERO C=CC1CCN(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000173503870 495562221 /nfs/dbraw/zinc/56/22/21/495562221.db2.gz HOQVNCDDRYEDJO-NRFANRHFSA-N 1 0 371.525 3.040 10 30 FGEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171606824 495945902 /nfs/dbraw/zinc/94/59/02/495945902.db2.gz VGHYCXMIDPXZMB-LJQANCHMSA-N 1 0 374.406 3.346 10 30 FGEERO COc1ccc([C@@H](CNc2cc(C)nc(C)c2C#N)[NH+](C)C)cc1OC ZINC000160438866 495963677 /nfs/dbraw/zinc/96/36/77/495963677.db2.gz ONNWXUMUVLKKJY-GOSISDBHSA-N 1 0 354.454 3.302 10 30 FGEERO Cc1ccc(C#N)c(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000161240290 496135742 /nfs/dbraw/zinc/13/57/42/496135742.db2.gz PRXZUAORRPZSIP-FQEVSTJZSA-N 1 0 350.466 3.119 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000175034017 496218286 /nfs/dbraw/zinc/21/82/86/496218286.db2.gz QMUOZXKTARLSJS-RBUKOAKNSA-N 1 0 355.482 3.193 10 30 FGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000191515158 496793922 /nfs/dbraw/zinc/79/39/22/496793922.db2.gz ONYUBUIABXYDRU-IAGOWNOFSA-N 1 0 359.514 3.457 10 30 FGEERO C[NH+](C)C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000193051161 497287317 /nfs/dbraw/zinc/28/73/17/497287317.db2.gz COKRZHRZEUUZPK-JOCHJYFZSA-N 1 0 363.505 3.149 10 30 FGEERO C[NH+]=C(NCc1nccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000263279990 497748373 /nfs/dbraw/zinc/74/83/73/497748373.db2.gz ZURHLMBLFADVBL-UHFFFAOYSA-N 1 0 359.477 3.132 10 30 FGEERO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246486190 497749457 /nfs/dbraw/zinc/74/94/57/497749457.db2.gz PBEQMMLGPITVPZ-FDDCHVKYSA-N 1 0 361.489 3.378 10 30 FGEERO C[NH+]=C(NC[C@@H](O)c1cccc(Cl)c1)N(C)Cc1cc(Cl)cn1C ZINC000261945874 713716005 /nfs/dbraw/zinc/71/60/05/713716005.db2.gz FWBPVWIFTKCRLY-MRXNPFEDSA-N 1 0 369.296 3.073 10 30 FGEERO C[NH+]=C(N[C@H](C)c1ccc(F)cc1F)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262329139 713723925 /nfs/dbraw/zinc/72/39/25/713723925.db2.gz APFZRJVTJOXYSS-IPALMDDQSA-N 1 0 351.441 3.394 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262417835 713725185 /nfs/dbraw/zinc/72/51/85/713725185.db2.gz QJUOUKKHMPCHJA-XPABHHOTSA-N 1 0 361.452 3.476 10 30 FGEERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000043289974 494284056 /nfs/dbraw/zinc/28/40/56/494284056.db2.gz VAWIUEMEDUTKAV-OAHLLOKOSA-N 1 0 356.495 3.454 10 30 FGEERO CN(c1cccnn1)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093272517 494854466 /nfs/dbraw/zinc/85/44/66/494854466.db2.gz JZAABUAGILIOLZ-UHFFFAOYSA-N 1 0 365.481 3.260 10 30 FGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000106210891 495431832 /nfs/dbraw/zinc/43/18/32/495431832.db2.gz VJTXWBNGOWQPQP-HNNXBMFYSA-N 1 0 357.483 3.136 10 30 FGEERO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180209250 495907122 /nfs/dbraw/zinc/90/71/22/495907122.db2.gz KRJLXHSUVPCBQH-CQSZACIVSA-N 1 0 354.454 3.121 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCC(C(F)(F)F)CC1 ZINC000162291037 496330306 /nfs/dbraw/zinc/33/03/06/496330306.db2.gz MNZJSWZEJZYHAO-PCGVCOGMSA-N 1 0 359.436 3.230 10 30 FGEERO CN(C)C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181421612 496388807 /nfs/dbraw/zinc/38/88/07/496388807.db2.gz ZSXGXWUTOLKIDW-HSZRJFAPSA-N 1 0 362.521 3.415 10 30 FGEERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157998917 496604847 /nfs/dbraw/zinc/60/48/47/496604847.db2.gz HUSJTKBKRWDXPF-KRWDZBQOSA-N 1 0 354.454 3.042 10 30 FGEERO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000153910277 496621431 /nfs/dbraw/zinc/62/14/31/496621431.db2.gz NSJJWYFCODKMNR-NRFANRHFSA-N 1 0 363.461 3.238 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000190499872 497505791 /nfs/dbraw/zinc/50/57/91/497505791.db2.gz BFIITZXNGFZAOH-IBGZPJMESA-N 1 0 357.498 3.186 10 30 FGEERO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(OC)c1 ZINC000246396451 497719138 /nfs/dbraw/zinc/71/91/38/497719138.db2.gz PWDPKBAQRJZZFB-MOPGFXCFSA-N 1 0 371.481 3.114 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)c1ccc(Cl)c(C#N)n1 ZINC000301596346 498179283 /nfs/dbraw/zinc/17/92/83/498179283.db2.gz ZJHLWLZUGLRZRD-MRXNPFEDSA-N 1 0 355.873 3.493 10 30 FGEERO CC[NH+]1CCN(Cc2ccc(CNc3cc(C)nc(C)c3C#N)cc2)CC1 ZINC000301760333 498254343 /nfs/dbraw/zinc/25/43/43/498254343.db2.gz FPUDAWPPUCKEOK-UHFFFAOYSA-N 1 0 363.509 3.320 10 30 FGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182573616 705851307 /nfs/dbraw/zinc/85/13/07/705851307.db2.gz QCBZHDKMFPRTEZ-CHWSQXEVSA-N 1 0 352.276 3.108 10 30 FGEERO CC[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261659658 713712550 /nfs/dbraw/zinc/71/25/50/713712550.db2.gz ANYQUPSDIPRGRK-VMBOVVBDSA-N 1 0 361.452 3.433 10 30 FGEERO C[C@@H]1CN([C@@H](CNC(=[NH2+])NC2CCCCCC2)c2cccs2)CCO1 ZINC000261981349 713716773 /nfs/dbraw/zinc/71/67/73/713716773.db2.gz IACKFOUOEFJJFN-WBVHZDCISA-N 1 0 364.559 3.137 10 30 FGEERO Cc1ccc([C@H](CNC(=[NH2+])NC2CCCCCC2)N2CCOCC2)s1 ZINC000262002036 713717065 /nfs/dbraw/zinc/71/70/65/713717065.db2.gz PXXFGFSEDHNDPK-KRWDZBQOSA-N 1 0 364.559 3.057 10 30 FGEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCOc2ccccc21 ZINC000262759960 713729295 /nfs/dbraw/zinc/72/92/95/713729295.db2.gz FRIVDVKEGHFCFH-MRXNPFEDSA-N 1 0 358.511 3.381 10 30 FGEERO CCN(CC)C(=O)C[N+](CC)(CC)CC(=O)Nc1c(C)cc(C)cc1C ZINC000001853562 717091052 /nfs/dbraw/zinc/09/10/52/717091052.db2.gz ZHBPJYJCTLNZPY-UHFFFAOYSA-O 1 0 362.538 3.275 10 30 FGEERO C[C@@H]1C[NH+](CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@@H](C)O1 ZINC000091478400 494606728 /nfs/dbraw/zinc/60/67/28/494606728.db2.gz LWASXYFVCDBTFH-IAGOWNOFSA-N 1 0 364.493 3.432 10 30 FGEERO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC000117453817 494921854 /nfs/dbraw/zinc/92/18/54/494921854.db2.gz CZDORJWEUJOAOJ-SFHVURJKSA-N 1 0 361.486 3.216 10 30 FGEERO COc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1OCCCC#N ZINC000122114455 494926568 /nfs/dbraw/zinc/92/65/68/494926568.db2.gz WPLBNPBTFVSVTQ-UHFFFAOYSA-N 1 0 368.481 3.486 10 30 FGEERO N#Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccc2n1 ZINC000132954030 494947338 /nfs/dbraw/zinc/94/73/38/494947338.db2.gz PLOGKVFURYAEOG-LEWJYISDSA-N 1 0 350.466 3.286 10 30 FGEERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1OCCCC#N ZINC000128524288 495111121 /nfs/dbraw/zinc/11/11/21/495111121.db2.gz AXENEEFKKQVKNV-KRWDZBQOSA-N 1 0 354.454 3.101 10 30 FGEERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000170855993 495629428 /nfs/dbraw/zinc/62/94/28/495629428.db2.gz AOTNGMSWRIWJSH-INIZCTEOSA-N 1 0 351.475 3.486 10 30 FGEERO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180209234 495907181 /nfs/dbraw/zinc/90/71/81/495907181.db2.gz KRJLXHSUVPCBQH-AWEZNQCLSA-N 1 0 354.454 3.121 10 30 FGEERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H]1CC ZINC000160599058 496000979 /nfs/dbraw/zinc/00/09/79/496000979.db2.gz AUBMKTALLMITIE-UXHICEINSA-N 1 0 372.513 3.174 10 30 FGEERO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)c(C#N)c1C ZINC000180645813 496084442 /nfs/dbraw/zinc/08/44/42/496084442.db2.gz GJCHMWZSKRHXQT-CQSZACIVSA-N 1 0 363.421 3.243 10 30 FGEERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655063 496088147 /nfs/dbraw/zinc/08/81/47/496088147.db2.gz YSLKLURXIGIEPE-MRXNPFEDSA-N 1 0 359.433 3.423 10 30 FGEERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672342 496097731 /nfs/dbraw/zinc/09/77/31/496097731.db2.gz ANLPWDCNRZXAJK-HOTGVXAUSA-N 1 0 359.433 3.422 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000184054446 496220169 /nfs/dbraw/zinc/22/01/69/496220169.db2.gz AVSHOAUETHBGRN-RTBURBONSA-N 1 0 357.498 3.436 10 30 FGEERO C=C[C@@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000188617522 496852661 /nfs/dbraw/zinc/85/26/61/496852661.db2.gz YRYRLIDPGZYHFT-UNMCSNQZSA-N 1 0 358.526 3.493 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000195262545 496866910 /nfs/dbraw/zinc/86/69/10/496866910.db2.gz JKPJOJROQZFKSI-INIZCTEOSA-N 1 0 358.486 3.416 10 30 FGEERO CC[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249299562 497188924 /nfs/dbraw/zinc/18/89/24/497188924.db2.gz LJCQKPIGWOOOFW-BZUAXINKSA-N 1 0 353.388 3.105 10 30 FGEERO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302709706 498541184 /nfs/dbraw/zinc/54/11/84/498541184.db2.gz HSZJDXXKJIGOFL-GOEBONIOSA-N 1 0 351.410 3.326 10 30 FGEERO N#Cc1c(Cl)cccc1O[C@H]1CCc2ccc(N3CC[NH2+]CC3)nc21 ZINC000584655564 507436951 /nfs/dbraw/zinc/43/69/51/507436951.db2.gz IIPZMSIDLILHEW-KRWDZBQOSA-N 1 0 354.841 3.083 10 30 FGEERO NC(=[NH2+])NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006452151 527124263 /nfs/dbraw/zinc/12/42/63/527124263.db2.gz VYPZWWVRCGDIMK-AFUMVMLFSA-N 1 0 374.444 3.452 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N(C)Cc1ccc(Cl)s1 ZINC000262246942 713722406 /nfs/dbraw/zinc/72/24/06/713722406.db2.gz PURLOPJRGBVVFI-AWEZNQCLSA-N 1 0 355.866 3.281 10 30 FGEERO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1nccc(N(C)CC)n1 ZINC000072425229 210066493 /nfs/dbraw/zinc/06/64/93/210066493.db2.gz WYCMFIAVJDHYOR-GOSISDBHSA-N 1 0 355.486 3.173 10 30 FGEERO C[C@H]([NH3+])Cc1cc2c(c(C#N)c1)N(CCCOC(=O)c1ccccc1)CC2 ZINC000096125884 222035244 /nfs/dbraw/zinc/03/52/44/222035244.db2.gz SPIYQPPDQNLNDT-INIZCTEOSA-N 1 0 363.461 3.058 10 30 FGEERO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000043723368 494314980 /nfs/dbraw/zinc/31/49/80/494314980.db2.gz WPZSCBBJZWMBPX-QGZVFWFLSA-N 1 0 366.465 3.438 10 30 FGEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCSCc1ccccc1C#N ZINC000171605734 495945446 /nfs/dbraw/zinc/94/54/46/495945446.db2.gz YMMABPYOSNNFMT-FQEVSTJZSA-N 1 0 367.518 3.081 10 30 FGEERO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174704523 496069359 /nfs/dbraw/zinc/06/93/59/496069359.db2.gz GBAMYVPGBHVJRZ-AWEZNQCLSA-N 1 0 351.406 3.009 10 30 FGEERO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000180694644 496107771 /nfs/dbraw/zinc/10/77/71/496107771.db2.gz LCTXVCOQHCMTEV-RDJZCZTQSA-N 1 0 365.543 3.474 10 30 FGEERO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000180694659 496108011 /nfs/dbraw/zinc/10/80/11/496108011.db2.gz LCTXVCOQHCMTEV-NVXWUHKLSA-N 1 0 365.543 3.474 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000172185320 496199526 /nfs/dbraw/zinc/19/95/26/496199526.db2.gz OAVUGCBUTSOZJC-KBXCAEBGSA-N 1 0 365.433 3.032 10 30 FGEERO CCn1cc(C2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)cn1 ZINC000157730190 496540837 /nfs/dbraw/zinc/54/08/37/496540837.db2.gz ONPOWRKOBKUPRY-UHFFFAOYSA-N 1 0 354.454 3.042 10 30 FGEERO C=CCC[C@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000182022452 496637810 /nfs/dbraw/zinc/63/78/10/496637810.db2.gz NKRIXLKYTAJQEY-RXVVDRJESA-N 1 0 373.541 3.428 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000195266099 496868981 /nfs/dbraw/zinc/86/89/81/496868981.db2.gz FVVWKHJSYHUPGQ-HNNXBMFYSA-N 1 0 358.486 3.416 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000248389414 496989775 /nfs/dbraw/zinc/98/97/75/496989775.db2.gz AVSHOAUETHBGRN-MOPGFXCFSA-N 1 0 357.498 3.436 10 30 FGEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000301642719 498201755 /nfs/dbraw/zinc/20/17/55/498201755.db2.gz MTBWABRZUGIFJP-PMACEKPBSA-N 1 0 353.853 3.301 10 30 FGEERO CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000328610905 498874777 /nfs/dbraw/zinc/87/47/77/498874777.db2.gz JOUXBLDYQKUKNJ-IBGZPJMESA-N 1 0 351.410 3.317 10 30 FGEERO C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014733648 518599984 /nfs/dbraw/zinc/59/99/84/518599984.db2.gz MJQUGVMQBMZUSG-INIZCTEOSA-N 1 0 370.497 3.041 10 30 FGEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CCC(C(F)(F)F)CC1 ZINC000262394661 713724877 /nfs/dbraw/zinc/72/48/77/713724877.db2.gz MUEYZHRVPWXWKU-MMCPYJTDSA-N 1 0 361.452 3.476 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056182376 494466518 /nfs/dbraw/zinc/46/65/18/494466518.db2.gz WOFUDHMKQCVMDQ-UONOGXRCSA-N 1 0 353.422 3.253 10 30 FGEERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000046170763 494500694 /nfs/dbraw/zinc/50/06/94/494500694.db2.gz RKLOSLKTCQNLFO-KBPBESRZSA-N 1 0 351.406 3.007 10 30 FGEERO C[C@H]1C[NH+](CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478395 494606375 /nfs/dbraw/zinc/60/63/75/494606375.db2.gz LWASXYFVCDBTFH-IRXDYDNUSA-N 1 0 364.493 3.432 10 30 FGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000121973386 494901440 /nfs/dbraw/zinc/90/14/40/494901440.db2.gz CIOFQRAUCAQCFJ-IBGZPJMESA-N 1 0 370.497 3.381 10 30 FGEERO N#Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2n1 ZINC000132953648 494947367 /nfs/dbraw/zinc/94/73/67/494947367.db2.gz PLOGKVFURYAEOG-SFTDATJTSA-N 1 0 350.466 3.286 10 30 FGEERO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1OC ZINC000128468521 495101639 /nfs/dbraw/zinc/10/16/39/495101639.db2.gz TZQRVZXQLZVRRT-GOSISDBHSA-N 1 0 356.470 3.154 10 30 FGEERO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000103473452 495237385 /nfs/dbraw/zinc/23/73/85/495237385.db2.gz GWXTUYFBULTTOT-UHFFFAOYSA-N 1 0 357.845 3.143 10 30 FGEERO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCN(CCn2cccn2)CC1 ZINC000135197978 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363.461 3.351 10 30 FGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156475668 496255738 /nfs/dbraw/zinc/25/57/38/496255738.db2.gz NLPBFWRGUFLWRO-IBGZPJMESA-N 1 0 350.466 3.465 10 30 FGEERO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000181753386 496529159 /nfs/dbraw/zinc/52/91/59/496529159.db2.gz JFWWXTYFRSDKGE-CHWSQXEVSA-N 1 0 369.421 3.217 10 30 FGEERO C=CCC1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCC1 ZINC000188498456 496810852 /nfs/dbraw/zinc/81/08/52/496810852.db2.gz CMIKXRSIBBYBSL-FQEVSTJZSA-N 1 0 356.510 3.295 10 30 FGEERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000195288392 496876852 /nfs/dbraw/zinc/87/68/52/496876852.db2.gz SZNJDJREOHYWFY-OAQYLSRUSA-N 1 0 364.493 3.176 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CCC2 ZINC000246777091 497809795 /nfs/dbraw/zinc/80/97/95/497809795.db2.gz IHFYCNPNGSHWOC-VLIAUNLRSA-N 1 0 373.522 3.064 10 30 FGEERO CC[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N1CC[C@]2(CCOC2)C1 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PWDPKBAQRJZZFB-RTBURBONSA-N 1 0 371.481 3.114 10 30 FGEERO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177126608 495937606 /nfs/dbraw/zinc/93/76/06/495937606.db2.gz MSGVRPIYWHEXGI-GOSISDBHSA-N 1 0 374.410 3.448 10 30 FGEERO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180647220 496085370 /nfs/dbraw/zinc/08/53/70/496085370.db2.gz PMICWFYRMBSCIW-CYBMUJFWSA-N 1 0 351.435 3.095 10 30 FGEERO C=CCC[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1)c1ccccc1 ZINC000182022732 496639368 /nfs/dbraw/zinc/63/93/68/496639368.db2.gz PKIKTDIWOMRZFO-RLLQIKCJSA-N 1 0 359.514 3.181 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000190358971 497448937 /nfs/dbraw/zinc/44/89/37/497448937.db2.gz IPNMLDXQUJLICD-UHFFFAOYSA-N 1 0 374.500 3.305 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000190854227 497622493 /nfs/dbraw/zinc/62/24/93/497622493.db2.gz KBYVMRGEJIFHGL-QGZVFWFLSA-N 1 0 351.535 3.444 10 30 FGEERO CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N1CCc2ccccc21 ZINC000263268695 497746471 /nfs/dbraw/zinc/74/64/71/497746471.db2.gz WFWRWIJUJJUALP-UHFFFAOYSA-N 1 0 355.413 3.220 10 30 FGEERO N#Cc1ccnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301617929 498190501 /nfs/dbraw/zinc/19/05/01/498190501.db2.gz CQGXJHGSXSKIIG-QGZVFWFLSA-N 1 0 351.410 3.328 10 30 FGEERO COc1ccc(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc1C#N ZINC000328654383 498890575 /nfs/dbraw/zinc/89/05/75/498890575.db2.gz XIVQWCYVAFYUAY-CYBMUJFWSA-N 1 0 364.371 3.134 10 30 FGEERO C[NH+]=C(NCC1(SC)CCOCC1)NC1CCC(C(F)(F)F)CC1 ZINC000130378757 700800536 /nfs/dbraw/zinc/80/05/36/700800536.db2.gz IHFJEXHZLSMABB-UHFFFAOYSA-N 1 0 367.481 3.185 10 30 FGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182510680 705847441 /nfs/dbraw/zinc/84/74/41/705847441.db2.gz HKAQFCUQEIQATG-MLGOLLRUSA-N 1 0 357.376 3.290 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261732534 713713454 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/nfs/dbraw/zinc/18/71/25/496187125.db2.gz CEUHIUXLNFIZIP-OLZOCXBDSA-N 1 0 371.437 3.463 10 30 FGEERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181053312 496253918 /nfs/dbraw/zinc/25/39/18/496253918.db2.gz GYIRVNHYRCEJTL-HNNXBMFYSA-N 1 0 374.286 3.312 10 30 FGEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181136689 496282976 /nfs/dbraw/zinc/28/29/76/496282976.db2.gz VNUVPYCYQIDHQX-INIZCTEOSA-N 1 0 359.271 3.490 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000195267190 496869785 /nfs/dbraw/zinc/86/97/85/496869785.db2.gz OLYQJIDKGGHMKM-SFHVURJKSA-N 1 0 357.498 3.396 10 30 FGEERO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980123 496952001 /nfs/dbraw/zinc/95/20/01/496952001.db2.gz WDOGQSFHQKUJRU-INIZCTEOSA-N 1 0 357.498 3.357 10 30 FGEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000192924468 497247436 /nfs/dbraw/zinc/24/74/36/497247436.db2.gz OFPDIWVGPBPOMW-HOTGVXAUSA-N 1 0 373.415 3.438 10 30 FGEERO C=CCNC(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)=[NH+]C ZINC000263226076 497736416 /nfs/dbraw/zinc/73/64/16/497736416.db2.gz GNVCCUSWGPTSHO-UHFFFAOYSA-N 1 0 356.297 3.393 10 30 FGEERO N#Cc1ccccc1OCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379699407 499542924 /nfs/dbraw/zinc/54/29/24/499542924.db2.gz PRGBQCUBZVQRON-HXUWFJFHSA-N 1 0 363.461 3.108 10 30 FGEERO CC[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCc2ccccc2C1 ZINC000080708512 700321301 /nfs/dbraw/zinc/32/13/01/700321301.db2.gz OEZMOXQYUPLIEC-GOSISDBHSA-N 1 0 361.555 3.011 10 30 FGEERO C#CCOc1ccccc1C[N@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000157250282 705149799 /nfs/dbraw/zinc/14/97/99/705149799.db2.gz YJECHLWKPAQICD-UHFFFAOYSA-N 1 0 355.507 3.171 10 30 FGEERO C[C@H]1CN([C@H](CNC(=[NH2+])NC2CCCCCC2)c2cccs2)CCO1 ZINC000261981335 713716728 /nfs/dbraw/zinc/71/67/28/713716728.db2.gz IACKFOUOEFJJFN-DOTOQJQBSA-N 1 0 364.559 3.137 10 30 FGEERO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068776 494436299 /nfs/dbraw/zinc/43/62/99/494436299.db2.gz YZMBFVQGWDZAIH-YOEHRIQHSA-N 1 0 358.442 3.367 10 30 FGEERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C#N ZINC000046170889 494500818 /nfs/dbraw/zinc/50/08/18/494500818.db2.gz SXTWLZAYZGBOAV-ZIAGYGMSSA-N 1 0 351.406 3.007 10 30 FGEERO N#Cc1cnc2ccccc2c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132962157 494949282 /nfs/dbraw/zinc/94/92/82/494949282.db2.gz WNUDRXOIBBKTGU-WOJBJXKFSA-N 1 0 350.466 3.286 10 30 FGEERO Cn1cc([C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)cn1 ZINC000128377460 495087582 /nfs/dbraw/zinc/08/75/82/495087582.db2.gz SEHACKUEFFRDGR-SFHVURJKSA-N 1 0 360.465 3.187 10 30 FGEERO C[N@H+](CCOc1cccc(C#N)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160510 495420945 /nfs/dbraw/zinc/42/09/45/495420945.db2.gz READNHOQYSBHAC-IBGZPJMESA-N 1 0 371.506 3.004 10 30 FGEERO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177126624 495937012 /nfs/dbraw/zinc/93/70/12/495937012.db2.gz MSGVRPIYWHEXGI-SFHVURJKSA-N 1 0 374.410 3.448 10 30 FGEERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195268334 496869258 /nfs/dbraw/zinc/86/92/58/496869258.db2.gz QXKWWYUCWQQUTE-SFHVURJKSA-N 1 0 370.522 3.156 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000245539184 497445308 /nfs/dbraw/zinc/44/53/08/497445308.db2.gz ZVUNYHMPOKVJPT-AEFFLSMTSA-N 1 0 366.490 3.390 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000190854245 497622223 /nfs/dbraw/zinc/62/22/23/497622223.db2.gz KBYVMRGEJIFHGL-KRWDZBQOSA-N 1 0 351.535 3.444 10 30 FGEERO COc1ccc([C@H]2[C@@H](CNc3nnc(C)c(C)c3C#N)CCC[N@@H+]2C)cc1 ZINC000301307553 498050243 /nfs/dbraw/zinc/05/02/43/498050243.db2.gz VQNIZZFAXTUNGC-XLIONFOSSA-N 1 0 365.481 3.469 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085965625 700369229 /nfs/dbraw/zinc/36/92/29/700369229.db2.gz SMLABBLNKYDMCF-CZUORRHYSA-N 1 0 352.272 3.102 10 30 FGEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056182372 494466655 /nfs/dbraw/zinc/46/66/55/494466655.db2.gz WOFUDHMKQCVMDQ-KBPBESRZSA-N 1 0 353.422 3.253 10 30 FGEERO C=CCOc1cccc(C[N@H+]2CCCN(Cc3cnn(CC)c3)CC2)c1 ZINC000121619585 494822125 /nfs/dbraw/zinc/82/21/25/494822125.db2.gz WYTIQBHLSWTAMV-UHFFFAOYSA-N 1 0 354.498 3.176 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000171710299 495999499 /nfs/dbraw/zinc/99/94/99/495999499.db2.gz SKGRTPDTDQTQJF-ZDUSSCGKSA-N 1 0 366.303 3.460 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000195261027 496866491 /nfs/dbraw/zinc/86/64/91/496866491.db2.gz MNLWCPFWLDTXRQ-INIZCTEOSA-N 1 0 358.486 3.416 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000195262559 496866729 /nfs/dbraw/zinc/86/67/29/496866729.db2.gz JKPJOJROQZFKSI-MRXNPFEDSA-N 1 0 358.486 3.416 10 30 FGEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000247515595 496877786 /nfs/dbraw/zinc/87/77/86/496877786.db2.gz YSWFEWVLIUAOPO-RHSMWYFYSA-N 1 0 367.415 3.085 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000190852500 497622864 /nfs/dbraw/zinc/62/28/64/497622864.db2.gz CIQQLEMRWIGYCO-MRXNPFEDSA-N 1 0 363.527 3.248 10 30 FGEERO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)c1ccc(Cl)c(C#N)n1 ZINC000301596345 498179201 /nfs/dbraw/zinc/17/92/01/498179201.db2.gz ZJHLWLZUGLRZRD-INIZCTEOSA-N 1 0 355.873 3.493 10 30 FGEERO Cc1ccc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nc1C#N ZINC000302649991 498522974 /nfs/dbraw/zinc/52/29/74/498522974.db2.gz MWXSRFLBGLBPAB-HXUWFJFHSA-N 1 0 350.466 3.119 10 30 FGEERO N#CC1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000381854124 499545339 /nfs/dbraw/zinc/54/53/39/499545339.db2.gz LOPAHFNYUWAAPI-SLFFLAALSA-N 1 0 351.494 3.487 10 30 FGEERO CC(=O)Nc1ccc(CC[N@@H+]2C[C@H]3COc4ccc(C#N)cc4[C@H]3C2)cc1 ZINC000090567553 519715315 /nfs/dbraw/zinc/71/53/15/519715315.db2.gz ZDZWIQDJFWTDAM-RXVVDRJESA-N 1 0 361.445 3.167 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N(C)Cc1cc(Cl)cn1C ZINC000262014122 713717062 /nfs/dbraw/zinc/71/70/62/713717062.db2.gz XJGHBHZKVSUDJF-INIZCTEOSA-N 1 0 369.296 3.073 10 30 FGEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262371215 713724520 /nfs/dbraw/zinc/72/45/20/713724520.db2.gz IRAOSLWBTSRZJI-XPABHHOTSA-N 1 0 361.452 3.476 10 30 FGEERO C[NH+]=C(NCc1csc2ccccc12)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262470972 713726389 /nfs/dbraw/zinc/72/63/89/713726389.db2.gz OWULYIMJRDIEJZ-AWEZNQCLSA-N 1 0 353.495 3.200 10 30 FGEERO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014746609 220132845 /nfs/dbraw/zinc/13/28/45/220132845.db2.gz JHIARDLIIAJGFB-GOSISDBHSA-N 1 0 370.541 3.429 10 30 FGEERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000068225758 493781619 /nfs/dbraw/zinc/78/16/19/493781619.db2.gz FPTNLIIMCBASPP-CYBMUJFWSA-N 1 0 372.296 3.455 10 30 FGEERO C[C@]1([N+](=O)Cc2ccc(I)cc2)CCCCC1=O ZINC000005530950 493933989 /nfs/dbraw/zinc/93/39/89/493933989.db2.gz FVJRCTIYMLSYGW-FBKCMUNRSA-N 1 0 357.191 3.122 10 30 FGEERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000043289972 494284082 /nfs/dbraw/zinc/28/40/82/494284082.db2.gz VAWIUEMEDUTKAV-HNNXBMFYSA-N 1 0 356.495 3.454 10 30 FGEERO C[C@@H]1C[N@@H+](CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478392 494607285 /nfs/dbraw/zinc/60/72/85/494607285.db2.gz LWASXYFVCDBTFH-CALCHBBNSA-N 1 0 364.493 3.432 10 30 FGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000109070681 494826849 /nfs/dbraw/zinc/82/68/49/494826849.db2.gz AMJBGWYLYSDXKF-GOSISDBHSA-N 1 0 368.481 3.199 10 30 FGEERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1 ZINC000122451356 494977852 /nfs/dbraw/zinc/97/78/52/494977852.db2.gz HJHMWLJYIDSIQN-FZMZJTMJSA-N 1 0 352.385 3.010 10 30 FGEERO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127829800 495004684 /nfs/dbraw/zinc/00/46/84/495004684.db2.gz YNCUQSNAVYRSRN-CVEARBPZSA-N 1 0 362.543 3.454 10 30 FGEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)cc1OC ZINC000185667628 495669477 /nfs/dbraw/zinc/66/94/77/495669477.db2.gz HUXAOZCOQKCCIS-PMACEKPBSA-N 1 0 361.482 3.324 10 30 FGEERO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000180024272 495827172 /nfs/dbraw/zinc/82/71/72/495827172.db2.gz CKLJDXXPNUMVKB-CRAIPNDOSA-N 1 0 352.438 3.402 10 30 FGEERO CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000177132103 495940558 /nfs/dbraw/zinc/94/05/58/495940558.db2.gz ZPRNMANPPKQRJS-GOSISDBHSA-N 1 0 354.416 3.100 10 30 FGEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000177131236 495940780 /nfs/dbraw/zinc/94/07/80/495940780.db2.gz DDUSRXCJTXFWDH-INIZCTEOSA-N 1 0 354.416 3.100 10 30 FGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC000177501637 496087689 /nfs/dbraw/zinc/08/76/89/496087689.db2.gz NGIXVFJOTAMQER-MRXNPFEDSA-N 1 0 361.490 3.080 10 30 FGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000180839398 496165854 /nfs/dbraw/zinc/16/58/54/496165854.db2.gz NSQDNHZDFJYDEF-IEBWSBKVSA-N 1 0 374.916 3.145 10 30 FGEERO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000163148956 496474032 /nfs/dbraw/zinc/47/40/32/496474032.db2.gz KKXAISZEFIJDBW-LLVKDONJSA-N 1 0 354.884 3.398 10 30 FGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)ccc1OC ZINC000195404906 496914422 /nfs/dbraw/zinc/91/44/22/496914422.db2.gz XRXGXYAJTUGCFN-KRWDZBQOSA-N 1 0 370.497 3.470 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507714 496945104 /nfs/dbraw/zinc/94/51/04/496945104.db2.gz ZFVBJYTXJGTIEV-OAHLLOKOSA-N 1 0 358.511 3.254 10 30 FGEERO N#Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000301739888 498245581 /nfs/dbraw/zinc/24/55/81/498245581.db2.gz XBTZKGVAWVBVPA-HOTGVXAUSA-N 1 0 353.388 3.003 10 30 FGEERO CC[NH+]1CCN(Cc2ccccc2CNc2cc(C)nc(C)c2C#N)CC1 ZINC000301800882 498271021 /nfs/dbraw/zinc/27/10/21/498271021.db2.gz VYAOUGHKHFHGTN-UHFFFAOYSA-N 1 0 363.509 3.320 10 30 FGEERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc(F)ccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000328628481 498880903 /nfs/dbraw/zinc/88/09/03/498880903.db2.gz HHWQFXXEQJSPFQ-LAUBAEHRSA-N 1 0 369.488 3.336 10 30 FGEERO CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000006262503 518364131 /nfs/dbraw/zinc/36/41/31/518364131.db2.gz NIHGLTHSFRMQBH-UHFFFAOYSA-O 1 0 360.437 3.230 10 30 FGEERO C[C@H]1CN([C@@H](CNC(=[NH2+])NC2CCCCCC2)c2cccs2)CCO1 ZINC000261981343 713716772 /nfs/dbraw/zinc/71/67/72/713716772.db2.gz IACKFOUOEFJJFN-RDJZCZTQSA-N 1 0 364.559 3.137 10 30 FGEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCC(C(F)(F)F)CC1 ZINC000262385772 713724558 /nfs/dbraw/zinc/72/45/58/713724558.db2.gz LGNZREALRKLOEG-MMCPYJTDSA-N 1 0 361.452 3.476 10 30 FGEERO COc1ccc([NH+]=C(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000005738485 219696559 /nfs/dbraw/zinc/69/65/59/219696559.db2.gz AEJOFELPNDWFAJ-UHFFFAOYSA-N 1 0 356.382 3.035 10 30 FGEERO N#CC1CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000057880204 493811711 /nfs/dbraw/zinc/81/17/11/493811711.db2.gz PZBONEYCQDFXSU-NRFANRHFSA-N 1 0 350.462 3.389 10 30 FGEERO C=CCOc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1OC ZINC000093272606 494854311 /nfs/dbraw/zinc/85/43/11/494854311.db2.gz WSMNPPHWMAGBKA-UHFFFAOYSA-N 1 0 368.481 3.151 10 30 FGEERO C=CCC(CC=C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000151056653 495724731 /nfs/dbraw/zinc/72/47/31/495724731.db2.gz SVIBBTCCQFHGKL-OAQYLSRUSA-N 1 0 356.510 3.317 10 30 FGEERO CCn1cc(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cn1 ZINC000160463071 495969002 /nfs/dbraw/zinc/96/90/02/495969002.db2.gz XFNMMVMMIAIBCE-UHFFFAOYSA-N 1 0 357.483 3.044 10 30 FGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000156582459 496284258 /nfs/dbraw/zinc/28/42/58/496284258.db2.gz ASSBWFQEOCBGOA-HXUWFJFHSA-N 1 0 373.545 3.008 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000175333024 496344343 /nfs/dbraw/zinc/34/43/43/496344343.db2.gz FQMBKDPRMWULKA-GOSISDBHSA-N 1 0 362.905 3.003 10 30 FGEERO N#Cc1ccccc1COc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195332247 496892852 /nfs/dbraw/zinc/89/28/52/496892852.db2.gz OCBZZGGQTHYCLZ-HXUWFJFHSA-N 1 0 361.445 3.057 10 30 FGEERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000195338298 496895207 /nfs/dbraw/zinc/89/52/07/496895207.db2.gz HWCVOLDCFTUZSD-GFCCVEGCSA-N 1 0 357.435 3.070 10 30 FGEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(OC)c1 ZINC000248498511 497027189 /nfs/dbraw/zinc/02/71/89/497027189.db2.gz OFPDIWVGPBPOMW-CVEARBPZSA-N 1 0 373.415 3.438 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000190501993 497505575 /nfs/dbraw/zinc/50/55/75/497505575.db2.gz HHFMVOGEXLLVSY-INIZCTEOSA-N 1 0 367.428 3.078 10 30 FGEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000190512156 497510977 /nfs/dbraw/zinc/51/09/77/497510977.db2.gz YXCCYQDSGIWETM-HXUWFJFHSA-N 1 0 374.500 3.305 10 30 FGEERO Cn1cc([C@H]2CCC[NH2+]C2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21 ZINC000584628933 507434387 /nfs/dbraw/zinc/43/43/87/507434387.db2.gz ZQLDZSYVKBZAIJ-HNNXBMFYSA-N 1 0 359.433 3.164 10 30 FGEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000131197959 700811854 /nfs/dbraw/zinc/81/18/54/700811854.db2.gz AGVCXEYPEMMSQO-LBPRGKRZSA-N 1 0 354.285 3.425 10 30 FGEERO C=C(C)CS(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000223443436 713570443 /nfs/dbraw/zinc/57/04/43/713570443.db2.gz FPYUTHGWPKLXRL-LJQANCHMSA-N 1 0 350.528 3.408 10 30 FGEERO Cc1ccc([C@@H](CNC(=[NH2+])NC2CCCCCC2)N2CCOCC2)s1 ZINC000262002037 713717101 /nfs/dbraw/zinc/71/71/01/713717101.db2.gz PXXFGFSEDHNDPK-QGZVFWFLSA-N 1 0 364.559 3.057 10 30 FGEERO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ncccc2C#N)CC1 ZINC000065385282 221208722 /nfs/dbraw/zinc/20/87/22/221208722.db2.gz DUWAQHVFNGQJEZ-INIZCTEOSA-N 1 0 350.466 3.239 10 30 FGEERO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048159646 493794427 /nfs/dbraw/zinc/79/44/27/493794427.db2.gz VAUFFUXOMZEQLL-LJQANCHMSA-N 1 0 366.465 3.027 10 30 FGEERO C[C@@]1([N+](=O)Cc2ccc(I)cc2)CCCCC1=O ZINC000005534792 493934456 /nfs/dbraw/zinc/93/44/56/493934456.db2.gz FVJRCTIYMLSYGW-KWZJRMENSA-N 1 0 357.191 3.122 10 30 FGEERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000121943894 494896100 /nfs/dbraw/zinc/89/61/00/494896100.db2.gz VDOUPJXHDGQKST-HNAYVOBHSA-N 1 0 353.470 3.098 10 30 FGEERO C[N@H+](CCOc1cccc(C#N)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160513 495421424 /nfs/dbraw/zinc/42/14/24/495421424.db2.gz READNHOQYSBHAC-LJQANCHMSA-N 1 0 371.506 3.004 10 30 FGEERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154558121 495654138 /nfs/dbraw/zinc/65/41/38/495654138.db2.gz KWCTXMZUIBMAOK-SUMWQHHRSA-N 1 0 371.872 3.208 10 30 FGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174385194 495936796 /nfs/dbraw/zinc/93/67/96/495936796.db2.gz CMPSMROYUXIZTD-BSIFCXSSSA-N 1 0 363.461 3.473 10 30 FGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000171699071 495994705 /nfs/dbraw/zinc/99/47/05/495994705.db2.gz OBENCESLDQJDAT-CYBMUJFWSA-N 1 0 366.303 3.460 10 30 FGEERO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000152407689 496142509 /nfs/dbraw/zinc/14/25/09/496142509.db2.gz SLTPBNPZVYJZOH-HXUWFJFHSA-N 1 0 354.498 3.376 10 30 FGEERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000180860763 496174161 /nfs/dbraw/zinc/17/41/61/496174161.db2.gz ROIUCVVLRQCBEF-OAHLLOKOSA-N 1 0 359.470 3.039 10 30 FGEERO CN(Cc1ccc(Cl)cc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000186975453 496235586 /nfs/dbraw/zinc/23/55/86/496235586.db2.gz PPXBIKOAJRHUGZ-UHFFFAOYSA-N 1 0 357.889 3.005 10 30 FGEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000247357160 496843182 /nfs/dbraw/zinc/84/31/82/496843182.db2.gz OIHYFSVRBMWEFU-MAUKXSAKSA-N 1 0 367.449 3.189 10 30 FGEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190507656 497508364 /nfs/dbraw/zinc/50/83/64/497508364.db2.gz AYBXLSYJCOYZGE-GOSISDBHSA-N 1 0 363.465 3.248 10 30 FGEERO CC(=O)N[C@]1(c2noc(C)n2)CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000328610909 498873947 /nfs/dbraw/zinc/87/39/47/498873947.db2.gz JOUXBLDYQKUKNJ-LJQANCHMSA-N 1 0 351.410 3.317 10 30 FGEERO CC(=O)N[C@]1(c2noc(C)n2)CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000328614138 498875585 /nfs/dbraw/zinc/87/55/85/498875585.db2.gz VLZPSJJLHHOYJP-LJQANCHMSA-N 1 0 351.410 3.317 10 30 FGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCCN(CC)C1 ZINC000041663429 695765349 /nfs/dbraw/zinc/76/53/49/695765349.db2.gz VZDJHFOXIWDVQZ-INIZCTEOSA-N 1 0 351.288 3.035 10 30 FGEERO C=CCn1c(-c2ccco2)nn(CN(C)C[C@@H]2CCC[N@H+]2CC)c1=S ZINC000177164232 705609533 /nfs/dbraw/zinc/60/95/33/705609533.db2.gz WOEBFEFLKBMPSZ-HNNXBMFYSA-N 1 0 361.515 3.234 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCC[C@@H](SC)C1 ZINC000262810334 713729453 /nfs/dbraw/zinc/72/94/53/713729453.db2.gz UWORLEZZFWBFHK-OAGGEKHMSA-N 1 0 355.935 3.213 10 30 FGEERO C=C(Br)COc1c(Br)cc(CC[NH3+])cc1OC ZINC000037720614 220842188 /nfs/dbraw/zinc/84/21/88/220842188.db2.gz FSVNAYANMPHPFD-UHFFFAOYSA-N 1 0 365.065 3.246 10 30 FGEERO CC(=O)Nc1ccc(CC[N@@H+]2C[C@@H]3COc4ccc(C#N)cc4[C@H]3C2)cc1 ZINC000001489042 493795544 /nfs/dbraw/zinc/79/55/44/493795544.db2.gz ZDZWIQDJFWTDAM-NQIIRXRSSA-N 1 0 361.445 3.167 10 30 in-vitro FGEERO N#Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccc2n1 ZINC000132953838 494947213 /nfs/dbraw/zinc/94/72/13/494947213.db2.gz PLOGKVFURYAEOG-NHCUHLMSSA-N 1 0 350.466 3.286 10 30 FGEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000113227268 495285667 /nfs/dbraw/zinc/28/56/67/495285667.db2.gz DOAUESOLNOYBBP-MAUKXSAKSA-N 1 0 365.433 3.039 10 30 FGEERO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120876891 495476540 /nfs/dbraw/zinc/47/65/40/495476540.db2.gz IQFSNQXSKJDOJG-SFHVURJKSA-N 1 0 371.506 3.134 10 30 FGEERO C=CCc1cc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)cc(OC)c1O ZINC000185651968 495662755 /nfs/dbraw/zinc/66/27/55/495662755.db2.gz SMSYEDOZLLEEMB-RBUKOAKNSA-N 1 0 361.482 3.193 10 30 FGEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1Cl ZINC000154700898 495699999 /nfs/dbraw/zinc/69/99/99/495699999.db2.gz MYVPPRUHFJQVQT-KRWDZBQOSA-N 1 0 370.840 3.089 10 30 FGEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000176988494 495872637 /nfs/dbraw/zinc/87/26/37/495872637.db2.gz ZUFGOEURNIVVHC-QGZVFWFLSA-N 1 0 367.449 3.287 10 30 FGEERO C#CCCCCC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000180339912 495958028 /nfs/dbraw/zinc/95/80/28/495958028.db2.gz XKPVNEKFJKDMGM-NRFANRHFSA-N 1 0 356.510 3.084 10 30 FGEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175009966 496206113 /nfs/dbraw/zinc/20/61/13/496206113.db2.gz LSVRYBOXUIBJTD-LJQANCHMSA-N 1 0 374.406 3.346 10 30 FGEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175057997 496229766 /nfs/dbraw/zinc/22/97/66/496229766.db2.gz PTPSOAJGXKFHPT-VQTJNVASSA-N 1 0 368.525 3.109 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000195267203 496868895 /nfs/dbraw/zinc/86/88/95/496868895.db2.gz OLYQJIDKGGHMKM-GOSISDBHSA-N 1 0 357.498 3.396 10 30 FGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507713 496944174 /nfs/dbraw/zinc/94/41/74/496944174.db2.gz ZFVBJYTXJGTIEV-HNNXBMFYSA-N 1 0 358.511 3.254 10 30 FGEERO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000245539186 497445810 /nfs/dbraw/zinc/44/58/10/497445810.db2.gz ZVUNYHMPOKVJPT-SJLPKXTDSA-N 1 0 366.490 3.390 10 30 FGEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@]3(O)CCCC[C@@H]3C1)CCC2 ZINC000246777076 497809983 /nfs/dbraw/zinc/80/99/83/497809983.db2.gz IHFYCNPNGSHWOC-JLTOFOAXSA-N 1 0 373.522 3.064 10 30 FGEERO C[C@H]1C[NH+](CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@H](C)O1 ZINC000301596767 498180923 /nfs/dbraw/zinc/18/09/23/498180923.db2.gz ZNZLGJGSBGPMMG-STQMWFEESA-N 1 0 368.934 3.384 10 30 FGEERO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)[NH+]2CCCC2)c1 ZINC000302762461 498563498 /nfs/dbraw/zinc/56/34/98/498563498.db2.gz YRDJLGTZFWBRHS-SFHVURJKSA-N 1 0 367.409 3.119 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000328627088 498881474 /nfs/dbraw/zinc/88/14/74/498881474.db2.gz FUVJNXKXDNUPAY-INIZCTEOSA-N 1 0 355.511 3.293 10 30 FGEERO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC000014745638 519287136 /nfs/dbraw/zinc/28/71/36/519287136.db2.gz HIRHUMJCISDBPW-HNNXBMFYSA-N 1 0 372.900 3.071 10 30 FGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182510694 705847375 /nfs/dbraw/zinc/84/73/75/705847375.db2.gz HKAQFCUQEIQATG-WBMJQRKESA-N 1 0 357.376 3.290 10 30 FGEERO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000262190449 713721150 /nfs/dbraw/zinc/72/11/50/713721150.db2.gz GSFLCWDFGDSVHW-WCQYABFASA-N 1 0 360.285 3.025 10 30 FGEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262270764 713723126 /nfs/dbraw/zinc/72/31/26/713723126.db2.gz UMLBECWVNRKPNM-SJORKVTESA-N 1 0 359.857 3.062 10 30 FGEERO COc1c2c(cc3c1[C@@H](CC(=O)/C=C\c1ccco1)[N+](C)(C)CC3)OCO2 ZINC000097494964 717142027 /nfs/dbraw/zinc/14/20/27/717142027.db2.gz UGHOMKHHLXDQAD-JTGQJZMRSA-N 1 0 370.425 3.363 10 30 FGEERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1OCCCC#N ZINC000092810549 494755504 /nfs/dbraw/zinc/75/55/04/494755504.db2.gz SGMWBBKFFXCGNV-UHFFFAOYSA-N 1 0 368.481 3.491 10 30 FGEERO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000181753350 496529340 /nfs/dbraw/zinc/52/93/40/496529340.db2.gz JFWWXTYFRSDKGE-QWHCGFSZSA-N 1 0 369.421 3.217 10 30 FGEERO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173314127 496638395 /nfs/dbraw/zinc/63/83/95/496638395.db2.gz WANYJATUHMPDMH-SJKOYZFVSA-N 1 0 357.845 3.109 10 30 FGEERO COc1ccc(C#N)cc1CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260048 496864983 /nfs/dbraw/zinc/86/49/83/496864983.db2.gz FSDWKLRFFZPYDI-QGZVFWFLSA-N 1 0 370.522 3.286 10 30 FGEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000190351556 497446403 /nfs/dbraw/zinc/44/64/03/497446403.db2.gz WZZAUEAXAZHFRN-UHFFFAOYSA-N 1 0 351.535 3.444 10 30 FGEERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2C#N)CC1 ZINC000190352456 497447973 /nfs/dbraw/zinc/44/79/73/497447973.db2.gz URCWLABZJAJHOC-UHFFFAOYSA-N 1 0 357.498 3.186 10 30 FGEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000190622466 497549868 /nfs/dbraw/zinc/54/98/68/497549868.db2.gz HLRLYDWDPTZTBA-LJQANCHMSA-N 1 0 374.488 3.231 10 30 FGEERO CCOCC[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H]1CC ZINC000246278989 497682307 /nfs/dbraw/zinc/68/23/07/497682307.db2.gz AUBMKTALLMITIE-VQTJNVASSA-N 1 0 372.513 3.174 10 30 FGEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000328627089 498881818 /nfs/dbraw/zinc/88/18/18/498881818.db2.gz FUVJNXKXDNUPAY-MRXNPFEDSA-N 1 0 355.511 3.293 10 30 FGEERO CCN1CCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1ccccc1 ZINC000329062694 499030611 /nfs/dbraw/zinc/03/06/11/499030611.db2.gz NYNCNUGGLQQOOZ-XKGZKEIXSA-N 1 0 359.470 3.162 10 30 FGEERO CCCCCCCCOC[C@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627882 507434440 /nfs/dbraw/zinc/43/44/40/507434440.db2.gz OHARMKBLCNAIRA-GOSISDBHSA-N 1 0 353.503 3.402 10 30 FGEERO